data_5zsy_residue ############################ # Computer software used # ############################ 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 5zsy _Structure_validation_residue.Date_analyzed 2019-06-07 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 ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 122.866 1.317 . . . . 72.23 111.058 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 56.9 m -139.85 127.42 21.65 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 125.384 1.473 . . . . 74.32 107.778 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.0 mt -85.99 134.4 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 105.19 -2.152 . . . . 72.4 105.19 164.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.5 mt -104.03 150.85 6.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 C-N-CA 125.435 1.494 . . . . 72.1 108.72 170.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.8 mt -117.14 162.0 18.53 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 124.78 1.232 . . . . 71.34 109.066 171.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -145.46 173.6 11.87 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 126.642 1.977 . . . . 74.44 108.597 -177.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.2 t30 60.53 28.25 17.92 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.172 1.389 . . . . 73.23 112.185 169.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 29.8 mt -73.0 133.86 44.45 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 106.916 -1.513 . . . . 74.5 106.916 171.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.61 ' H ' ' HE2' ' A' ' 78' ' ' LYS . 1.7 m-20 -71.44 161.54 77.86 Favored Pre-proline 0 C--O 1.239 0.511 0 C-N-CA 123.019 0.528 . . . . 70.55 109.676 175.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -54.47 -52.66 7.66 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 123.912 3.075 . . . . 73.21 112.778 174.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -72.02 -14.62 61.93 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.821 1.248 . . . . 73.21 114.27 -173.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.6 m -69.42 167.14 17.21 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 120.944 -1.097 . . . . 71.31 111.634 -174.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.6 t -147.08 169.52 19.09 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 107.049 -1.463 . . . . 72.35 107.049 171.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 59.0 ttp -60.33 -51.3 70.1 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 127.784 2.434 . . . . 74.3 107.641 -174.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.39 -28.34 69.17 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 118.504 0.593 . . . . 63.42 112.17 -175.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.0 m -71.58 -55.59 7.49 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 109.161 -0.681 . . . . 72.12 109.161 175.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.0 mt -55.05 -44.48 74.42 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.154 0 C-N-CA 123.911 0.884 . . . . 73.14 109.993 177.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.6 mt -59.17 -15.69 16.17 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.127 0.788 . . . . 70.12 113.127 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.74 -52.02 4.58 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 119.329 0.968 . . . . 74.44 111.4 172.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -111.9 13.78 20.9 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.476 0.917 . . . . 62.54 113.476 -164.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.8 tp -119.31 14.99 13.04 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 124.636 1.174 . . . . 73.3 110.61 173.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -133.07 54.2 12.8 Favored Pre-proline 0 CA--C 1.54 0.578 0 O-C-N 121.025 -1.047 . . . . 74.2 112.969 -168.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -72.18 -51.57 0.21 Allowed 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 121.784 1.656 . . . . 73.33 111.191 174.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -75.4 -56.51 4.63 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-O 118.804 -0.617 . . . . 74.41 110.252 -172.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.13 153.74 49.06 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.98 1.712 . . . . 74.24 108.912 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.3 t -122.21 116.43 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 106.483 -1.673 . . . . 75.21 106.483 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -64.22 172.39 2.49 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 122.623 0.369 . . . . 73.31 111.251 170.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.9 m -84.9 -85.56 0.14 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.602 -0.888 . . . . 73.11 108.602 165.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.4 p -170.26 -50.63 0.02 OUTLIER 'General case' 0 C--O 1.233 0.204 0 CA-C-N 119.566 1.075 . . . . 54.32 111.325 -168.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 p -63.5 -24.89 68.01 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 121.159 -0.963 . . . . 70.12 110.243 176.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -52.3 -48.44 65.36 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.799 1.24 . . . . 73.14 110.126 172.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.0 t -100.38 85.46 1.12 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-O 123.78 1.752 . . . . 70.44 109.667 -159.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.3 mmt-85 -71.95 93.36 1.35 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.887 1.675 . . . . 73.43 109.78 174.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.0 t -95.19 103.03 14.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 N-CA-C 104.189 -2.522 . . . . 74.44 104.189 162.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.0 mt -66.72 143.58 15.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 106.975 -1.491 . . . . 71.11 106.975 169.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.69 149.79 52.37 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.394 1.078 . . . . 74.44 110.661 176.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -63.46 178.67 0.53 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.251 1.82 . . . . 74.24 110.162 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -119.38 -30.55 4.86 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.7 -1.25 . . . . 74.45 112.125 167.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -80.96 -53.47 6.41 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 107.711 -1.218 . . . . 74.51 107.711 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.9 p -83.45 -14.28 52.88 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 121.051 -0.26 . . . . 64.53 110.997 -170.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 53.07 43.26 31.9 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.796 1.239 . . . . 71.55 109.847 -174.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.2 mt -116.81 174.09 6.28 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 124.996 1.318 . . . . 70.22 108.548 174.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -80.5 179.81 7.55 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 124.91 1.284 . . . . 71.32 109.759 172.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -89.55 -13.37 37.46 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.024 0.929 . . . . 74.44 112.848 163.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.92 -21.63 42.69 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-N 119.378 0.99 . . . . 71.53 114.155 169.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -105.78 170.95 7.6 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 121.17 -1.194 . . . . 73.25 108.287 162.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -152.17 175.97 12.04 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 124.546 1.138 . . . . 73.4 109.389 171.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -134.91 141.83 46.4 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.819 1.648 . . . . 72.42 107.699 -175.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.6 mt -121.09 109.8 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 127.777 2.431 . . . . 74.51 106.902 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.07 124.77 36.41 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 106.989 -1.486 . . . . 74.53 106.989 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.7 mt -141.12 169.34 17.79 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 125.836 1.655 . . . . 74.24 108.798 -178.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.4 t -65.66 166.08 11.38 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.857 0.863 . . . . 65.41 110.978 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.4 m -51.86 -29.14 18.46 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 127.775 2.43 . . . . 73.41 114.022 -169.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.2 mt -117.88 -25.88 2.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 125.402 1.481 . . . . 74.21 110.584 -176.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.63 -44.7 85.63 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.88 0.872 . . . . 73.52 111.266 -174.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.8 -54.75 33.95 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 123.626 0.579 . . . . 65.14 109.603 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.56 -47.26 76.68 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.3 1.44 . . . . 71.1 112.583 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -60.08 -60.23 4.16 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 118.837 0.744 . . . . 74.5 109.241 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 tt -52.7 -48.59 66.48 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.849 1.26 . . . . 74.12 110.052 -175.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -45.84 92.14 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 118.428 -0.796 . . . . 71.1 111.585 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -59.91 -36.36 76.84 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 120.054 1.297 . . . . 71.52 110.663 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 57.4 mt -51.38 -57.95 2.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 108.528 -0.916 . . . . 73.41 108.528 173.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.57 -16.66 49.95 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 126.079 1.752 . . . . 74.5 114.432 -178.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -98.5 13.41 31.9 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 119.614 1.097 . . . . 74.53 111.736 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -129.99 13.29 5.74 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 113.523 0.934 . . . . 70.12 113.523 -174.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 pp -154.2 -171.79 3.99 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.729 0.695 . . . . 74.2 111.28 -166.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -46.45 152.61 0.84 Allowed Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 125.568 1.547 . . . . 74.31 113.567 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -64.79 161.65 35.22 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.587 2.192 . . . . 73.2 111.629 -178.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -69.03 167.19 24.19 Favored 'Trans proline' 0 N--CA 1.449 -1.135 0 C-N-CA 122.113 1.875 . . . . 64.5 110.904 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.415 HD21 ' H ' ' A' ' 74' ' ' THR . 0.2 OUTLIER -91.87 -179.46 5.31 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 127.152 2.181 . . . . 74.11 109.845 -172.054 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.415 ' H ' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -132.76 151.05 52.08 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 124.638 1.175 . . . . 73.44 108.126 169.415 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -131.05 22.02 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 C-N-CA 125.313 1.445 . . . . 71.44 109.52 -178.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.476 ' CB ' ' HE3' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -166.72 -22.8 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 114.021 1.119 . . . . 74.15 114.021 179.558 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.95 13.64 3.6 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 128.662 3.029 . . . . 64.35 111.17 -178.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.61 ' HE2' ' H ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -119.16 111.65 18.52 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 127.582 2.353 . . . . 74.35 109.401 -177.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 m -72.66 121.81 20.4 Favored 'General case' 0 C--N 1.332 -0.192 0 O-C-N 121.459 -0.776 . . . . 74.22 109.465 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.1 mm -65.34 160.35 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 119.105 0.866 . . . . 73.3 110.592 -175.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.66 152.57 39.19 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 125.164 1.385 . . . . 73.51 107.432 171.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 t -117.02 137.5 50.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 N-CA-C 106.824 -1.546 . . . . 71.11 106.824 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -133.21 164.5 26.93 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 125.28 1.432 . . . . 74.1 108.026 172.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -139.74 116.13 10.6 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 124.225 1.01 . . . . 74.44 108.551 -176.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -117.71 70.79 0.8 Allowed 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 107.938 -1.134 . . . . 64.43 107.938 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.474 0 C-N-CA 124.615 1.166 . . . . 70.43 108.558 173.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 N--CA 1.443 -0.792 0 N-CA-C 108.597 -0.89 . . . . 75.33 108.597 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.6 m -145.76 134.05 21.77 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 127.301 2.24 . . . . 74.3 108.405 147.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.8 mt -103.65 134.1 45.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 104.342 -2.466 . . . . 75.02 104.342 163.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.1 mt -108.25 144.7 16.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 107.485 -1.302 . . . . 74.23 107.485 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.8 mp -111.39 155.41 23.17 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.08 1.352 . . . . 72.3 107.886 173.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 -136.7 173.1 12.07 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 124.657 1.183 . . . . 74.14 108.853 171.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 61.7 t30 60.95 27.37 17.24 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.229 1.812 . . . . 74.54 113.256 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.35 115.81 6.69 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 119.69 -1.881 . . . . 75.14 106.216 165.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -58.4 156.64 21.27 Favored Pre-proline 0 C--O 1.236 0.349 0 CA-C-N 118.498 0.59 . . . . 72.4 110.107 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -59.7 -39.96 68.86 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 123.155 2.57 . . . . 73.34 111.923 -172.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -100.44 14.06 32.43 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.267 1.027 . . . . 72.5 112.952 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 73.2 m -74.81 168.24 20.27 Favored 'General case' 0 CA--C 1.53 0.178 0 O-C-N 121.101 -1.0 . . . . 51.21 110.874 167.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 p -124.85 -164.4 1.27 Allowed 'General case' 0 C--O 1.236 0.347 0 C-N-CA 124.02 0.928 . . . . 73.2 108.553 -178.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.8 ptm -88.14 -59.98 2.09 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 107.474 -1.306 . . . . 75.13 107.474 162.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -44.6 -44.43 8.87 Favored 'General case' 0 CA--C 1.521 -0.14 0 C-N-CA 127.611 2.364 . . . . 61.33 113.03 -178.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.7 m -74.26 -23.67 59.17 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.693 0.627 . . . . 72.34 112.693 -174.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.9 mt -85.18 -46.01 17.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 N-CA-C 108.418 -0.956 . . . . 74.41 108.418 169.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.8 mt -59.18 -37.84 78.37 Favored 'General case' 0 C--O 1.227 -0.097 0 C-N-CA 124.563 1.145 . . . . 74.21 111.215 -174.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.32 14.53 49.91 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-O 118.52 -1.155 . . . . 72.11 113.949 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -141.3 -25.4 0.72 Allowed 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.907 1.353 . . . . 74.34 113.028 -178.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 tt -113.27 37.25 3.24 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.879 2.071 . . . . 74.2 108.736 -175.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.48 53.85 1.16 Allowed Pre-proline 0 CA--C 1.551 1.011 0 N-CA-C 114.694 1.368 . . . . 73.44 114.694 174.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -84.12 -16.23 6.28 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 123.61 2.873 . . . . 73.41 115.253 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -133.01 -26.83 1.69 Allowed 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 120.196 1.362 . . . . 73.03 113.608 -175.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.26 155.88 46.69 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 126.364 1.866 . . . . 74.23 106.69 169.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.2 t -140.0 81.55 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 106.629 -1.619 . . . . 65.3 106.629 -167.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.8 mt -66.22 143.43 57.24 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 123.318 0.647 . . . . 74.21 109.991 -167.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.9 m -85.45 37.24 0.68 Allowed 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.657 1.583 . . . . 74.4 111.662 -168.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.9 m 60.19 -64.01 0.06 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 127.408 2.283 . . . . 73.44 114.319 -177.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.4 t -50.14 -35.21 24.96 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 126.773 2.029 . . . . 61.22 111.466 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -50.41 -33.16 19.75 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 118.773 -0.632 . . . . 74.12 111.883 173.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.7 t -108.28 137.82 38.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 119.513 1.051 . . . . 75.51 111.626 -162.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.51 90.26 2.97 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 126.533 1.933 . . . . 75.42 108.657 -176.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.6 t -87.36 97.57 6.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 105.449 -2.056 . . . . 72.33 105.449 160.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.2 mt -78.3 138.19 20.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 107.172 -1.418 . . . . 75.11 107.172 176.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -85.4 158.46 20.23 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 123.182 0.593 . . . . 75.45 110.701 173.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.69 -174.77 0.11 Allowed 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 124.538 1.135 . . . . 75.55 113.194 172.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -108.99 -29.77 8.41 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.725 1.61 . . . . 75.55 112.99 169.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -101.36 -46.44 5.01 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.273 0.629 . . . . 71.53 109.466 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.44 ' C ' ' H ' ' A' ' 45' ' ' LEU . 52.9 p -82.15 -16.07 51.12 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 118.767 -1.173 . . . . 73.23 111.74 -166.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 65.34 -13.41 0.13 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 127.742 2.417 . . . . 72.53 114.108 -172.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.44 ' H ' ' C ' ' A' ' 43' ' ' THR . 31.5 mt -65.39 -179.08 0.57 Allowed 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 127.722 2.409 . . . . 75.42 110.482 172.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -69.87 166.71 18.88 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 124.703 1.201 . . . . 73.32 109.906 168.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -73.78 -14.24 61.08 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 118.276 -0.868 . . . . 75.51 113.205 165.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.7 -15.47 62.98 Favored Glycine 0 CA--C 1.528 0.889 0 CA-C-N 119.943 1.247 . . . . 61.14 113.071 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -123.43 160.08 27.62 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 126.823 2.049 . . . . 72.33 107.493 167.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -145.93 175.39 10.47 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 123.929 0.892 . . . . 54.24 109.419 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -132.29 154.7 49.42 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.154 1.382 . . . . 74.33 108.656 -172.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.3 mt -127.14 140.44 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 128.233 2.613 . . . . 74.14 107.57 170.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -127.57 90.26 3.09 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 127.603 2.361 . . . . 75.13 107.792 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.6 mt -93.77 -173.95 3.31 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 126.141 1.776 . . . . 75.1 110.622 -174.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.5 t -70.02 154.32 42.09 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 107.13 -1.434 . . . . 73.31 107.13 156.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.1 m -59.84 -46.29 89.74 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.898 0.879 . . . . 75.23 111.323 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.1 mt -64.21 -46.51 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 O-C-N 121.295 -0.878 . . . . 72.0 109.581 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -63.28 -44.77 94.14 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.099 0.56 . . . . 73.2 110.351 -176.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.12 -43.77 74.41 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.577 1.151 . . . . 74.02 110.519 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.12 -62.39 1.58 Allowed 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 122.558 0.343 . . . . 72.43 110.735 173.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -53.21 -52.98 57.13 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 124.319 1.048 . . . . 73.1 111.423 -171.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.24 -44.08 92.36 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.588 1.155 . . . . 72.42 109.859 -177.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 tp -58.98 -39.77 82.77 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 110.026 -0.361 . . . . 75.04 110.026 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -63.4 -40.61 97.66 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.368 0.531 . . . . 74.03 110.735 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 62.5 mt -59.44 -50.05 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 N-CA-C 107.864 -1.162 . . . . 74.41 107.864 174.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.9 mt -60.23 -14.67 19.0 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 114.214 1.19 . . . . 74.42 114.214 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -107.94 31.86 5.19 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.029 1.732 . . . . 71.44 111.037 175.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.57 -30.19 0.13 Allowed 'General case' 0 C--O 1.236 0.386 0 C-N-CA 124.903 1.281 . . . . 74.23 113.885 169.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -172.09 1.25 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.283 1.833 . . . . 74.31 114.672 -169.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -66.08 144.87 98.94 Favored Pre-proline 0 CA--C 1.535 0.373 0 C-N-CA 123.87 0.868 . . . . 63.43 111.074 172.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -65.53 161.78 36.87 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 122.817 2.344 . . . . 74.12 112.204 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -73.79 140.37 29.0 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 122.605 2.203 . . . . 65.2 113.26 -171.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 tt -61.32 114.18 3.04 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 127.986 2.514 . . . . 73.54 107.983 172.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.86 145.47 32.71 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.301 -0.875 . . . . 72.44 108.675 174.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.0 16.38 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 124.108 0.963 . . . . 72.53 111.071 -171.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -170.63 24.32 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 126.491 1.917 . . . . 73.44 109.702 176.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.45 19.89 79.73 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 120.558 -1.339 . . . . 72.42 114.317 -175.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.54 95.68 4.89 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 127.921 2.488 . . . . 72.23 110.622 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.7 m -63.49 116.16 5.33 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.239 -1.022 . . . . 73.42 108.239 172.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.8 mm -61.92 163.85 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 124.268 1.027 . . . . 72.2 110.161 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.8 161.57 22.46 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 125.938 1.695 . . . . 73.13 109.227 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 t -121.77 142.46 37.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 125.844 1.658 . . . . 74.02 106.848 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -148.19 165.01 32.21 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 126.117 1.767 . . . . 54.14 107.728 174.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -129.66 128.82 43.37 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 106.975 -1.491 . . . . 61.1 106.975 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.47 64.79 1.54 Allowed 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 107.526 -1.287 . . . . 73.23 107.526 174.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.536 0.425 0 C-N-CA 125.728 1.611 . . . . 72.44 109.012 -178.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.424 ' HB3' ' CB ' ' A' ' 59' ' ' ALA . 19.6 m-20 . . . . . 0 N--CA 1.441 -0.921 0 CA-C-O 122.951 1.358 . . . . 73.4 109.782 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.9 m -119.72 108.32 14.29 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 112.631 -2.077 . . . . 61.32 105.515 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.9 mt -81.56 144.0 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 104.495 -2.409 . . . . 75.21 104.495 160.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.1 mt -126.07 137.87 56.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 105.587 -2.005 . . . . 72.41 105.587 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.7 mt -102.42 157.25 17.05 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 107.965 -1.124 . . . . 71.31 107.965 170.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -134.27 176.3 8.72 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 126.474 1.91 . . . . 75.3 108.626 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.6 t30 48.52 52.67 13.34 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 125.432 1.493 . . . . 75.53 110.939 173.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.4 mt -95.54 131.34 41.83 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 106.381 -1.711 . . . . 75.53 106.381 172.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.527 ' ND2' ' HZ2' ' A' ' 78' ' ' LYS . 17.0 p30 -73.4 159.41 84.86 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 108.944 -0.762 . . . . 64.4 108.944 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -68.51 -17.88 43.45 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 124.035 3.156 . . . . 75.22 114.158 -177.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.26 -25.6 42.51 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.094 0.958 . . . . 73.03 111.957 172.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.6 p -71.7 170.33 13.75 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 119.7 -0.8 . . . . 75.22 112.095 -160.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 t -146.73 165.31 30.03 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 106.15 -1.796 . . . . 73.03 106.15 164.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.6 ptt? -52.76 -36.7 58.36 Favored 'General case' 0 C--O 1.211 -0.968 0 C-N-CA 124.789 1.236 . . . . 75.51 109.804 160.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.84 -29.43 69.5 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 120.178 1.353 . . . . 75.2 112.563 -174.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -77.41 -63.44 1.37 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.565 1.546 . . . . 64.14 107.42 175.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.7 mt -63.28 -25.98 39.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 127.01 2.124 . . . . 71.3 111.687 -169.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.3 mt -68.14 -19.41 64.81 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 120.481 -1.387 . . . . 75.12 113.209 175.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.11 -33.21 5.28 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.17 -0.772 . . . . 74.1 111.17 172.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.08 -36.59 16.85 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 122.039 -0.683 . . . . 61.5 111.565 -170.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.5 tp -102.56 42.48 1.14 Allowed 'General case' 0 C--O 1.233 0.216 0 N-CA-C 107.678 -1.23 . . . . 75.31 107.678 -178.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.68 54.14 2.78 Favored Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 123.834 0.854 . . . . 61.42 111.188 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.428 ' HG2' ' CD1' ' A' ' 27' ' ' TYR . 60.9 Cg_endo -71.26 -24.7 22.84 Favored 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 122.527 2.151 . . . . 73.1 113.996 -175.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.428 ' CD1' ' HG2' ' A' ' 26' ' ' PRO . 7.8 m-85 -135.46 -59.36 0.77 Allowed 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 107.629 -1.249 . . . . 75.5 107.629 -169.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.42 164.13 12.1 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 124.386 1.075 . . . . 75.54 109.358 176.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.9 t -139.46 112.01 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 N-CA-C 107.331 -1.359 . . . . 72.13 107.331 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.3 mt -79.73 -171.77 3.0 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.341 1.856 . . . . 72.33 110.883 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 74.1 m -129.94 164.13 24.88 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.728 1.611 . . . . 74.13 110.444 165.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.8 p -66.6 -24.97 66.4 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 120.798 -1.189 . . . . 74.31 111.872 -176.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 p -54.69 -24.9 23.96 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 125.03 1.332 . . . . 74.41 112.467 168.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -111.05 14.27 21.93 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 126.037 1.735 . . . . 73.41 109.676 -171.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.5 t -135.74 92.99 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 107.199 -1.408 . . . . 72.13 107.199 174.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.56 98.0 2.73 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 107.047 -1.464 . . . . 75.2 107.047 169.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.7 t -98.38 106.01 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 104.71 -2.329 . . . . 73.43 104.71 164.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.3 mt -70.25 138.3 22.27 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 106.518 -1.66 . . . . 73.23 106.518 165.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.47 157.88 41.44 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 123.431 0.692 . . . . 73.32 109.61 175.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -69.81 163.58 25.51 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.658 1.183 . . . . 73.13 110.405 -178.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -103.84 -20.3 13.97 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.235 1.414 . . . . 71.12 112.754 -178.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -112.16 -46.25 3.22 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 125.601 1.561 . . . . 74.31 108.728 -174.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.3 p -89.93 -16.3 30.23 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 118.097 0.408 . . . . 74.41 111.742 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 53.76 46.33 26.06 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.122 1.369 . . . . 75.22 110.952 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.2 mt -124.64 156.15 38.0 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.789 1.636 . . . . 75.31 109.625 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -66.95 164.26 17.99 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 122.742 1.258 . . . . 72.44 112.467 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.48 -13.69 60.39 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.37 -0.831 . . . . 73.24 111.288 167.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.51 -14.79 64.48 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-N 119.985 1.266 . . . . 60.23 114.457 171.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -120.57 160.16 23.78 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 106.891 -1.522 . . . . 72.31 106.891 162.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -143.7 157.08 44.65 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 124.532 1.133 . . . . 74.24 108.933 -177.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -106.97 153.76 22.09 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 125.104 1.361 . . . . 75.32 107.708 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.5 mt -133.03 128.53 56.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 C-N-CA 127.03 2.132 . . . . 75.41 107.157 176.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -105.4 126.53 52.22 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 106.135 -1.802 . . . . 73.44 106.135 171.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.2 mt -136.57 169.97 16.82 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 125.821 1.648 . . . . 74.33 107.328 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.5 t -65.69 162.37 18.67 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 108.929 -0.767 . . . . 74.41 108.929 169.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.9 m -45.47 -51.83 11.06 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 127.606 2.362 . . . . 73.4 110.612 173.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.1 mt -68.23 -52.55 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 109.031 -0.729 . . . . 74.33 109.031 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.41 -47.31 86.65 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.431 0.692 . . . . 75.3 110.874 -168.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.424 ' CB ' ' HB3' ' A' ' 4' ' ' ASP . . . -57.96 -56.69 18.75 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.234 1.014 . . . . 74.13 109.173 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.49 -61.28 2.41 Favored 'General case' 0 N--CA 1.446 -0.661 0 O-C-N 124.146 0.903 . . . . 75.31 109.636 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -57.18 -47.76 80.44 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 118.42 -0.8 . . . . 75.33 111.194 -174.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.72 -48.03 78.64 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 119.368 0.985 . . . . 74.2 110.408 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 tp -62.66 -35.36 79.39 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 119.18 -0.438 . . . . 74.42 110.375 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.24 -54.49 40.11 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-N 118.959 0.8 . . . . 74.53 109.467 175.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 58.7 mt -44.61 -58.69 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.24 0 C-N-CA 124.708 1.203 . . . . 72.4 109.876 175.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.5 mt -67.78 -14.3 62.83 Favored 'General case' 0 C--N 1.34 0.181 0 N-CA-C 115.87 1.804 . . . . 75.21 115.87 -171.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -99.83 12.89 35.55 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 120.013 1.278 . . . . 73.1 111.904 176.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -123.16 14.07 9.73 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.869 0.868 . . . . 71.43 112.067 -175.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 pp -148.97 -174.15 4.56 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.585 0.754 . . . . 74.54 111.942 -167.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -53.02 156.85 3.23 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 126.242 1.817 . . . . 74.12 112.514 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -67.92 163.24 36.4 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 121.875 1.717 . . . . 73.22 112.306 -176.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -64.02 142.69 82.36 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 123.118 2.545 . . . . 74.43 111.669 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.46 124.8 27.25 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.829 2.052 . . . . 74.14 107.398 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.9 t -89.18 151.25 22.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.059 -0.719 . . . . 75.33 109.059 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.7 mp -129.57 14.08 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 123.898 0.879 . . . . 73.13 110.84 -167.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 174.67 30.25 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 127.008 2.123 . . . . 74.52 108.186 -177.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.39 24.82 66.12 Favored Glycine 0 CA--C 1.534 1.24 0 O-C-N 119.304 -2.122 . . . . 74.1 112.617 -175.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.527 ' HZ2' ' ND2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -112.63 91.95 3.84 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 126.881 2.072 . . . . 73.3 109.378 171.641 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.27 121.11 13.5 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.122 -1.066 . . . . 75.44 108.122 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 35.3 mm -62.66 163.48 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 N-CA-C 108.057 -1.09 . . . . 75.54 108.057 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.12 160.38 37.97 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 107.519 -1.289 . . . . 75.42 107.519 166.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.8 t -121.3 143.78 32.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 108.003 -1.11 . . . . 73.4 108.003 -174.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -125.06 159.13 32.1 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 122.34 1.067 . . . . 75.4 108.977 153.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -114.94 93.74 4.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.008 -1.906 . . . . 74.53 105.948 168.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.83 70.38 10.35 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 106.596 -1.631 . . . . 75.21 106.596 170.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.9 tptp . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 107.61 -1.255 . . . . 64.41 107.61 176.154 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 N--CA 1.442 -0.868 0 CA-C-O 121.805 0.812 . . . . 71.22 111.987 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.8 m -132.95 107.78 8.5 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 106.084 -1.821 . . . . 64.22 106.084 172.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.6 mt -82.01 124.48 39.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 104.572 -2.381 . . . . 73.51 104.572 173.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 mp -99.35 136.63 29.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 124.229 1.011 . . . . 63.15 109.918 176.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mp -93.89 149.0 21.61 Favored 'General case' 0 N--CA 1.461 0.102 0 C-N-CA 126.565 1.946 . . . . 72.24 106.968 167.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.56 176.8 8.6 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 126.153 1.781 . . . . 73.12 107.704 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 56.9 t30 52.03 48.63 22.36 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 125.46 1.504 . . . . 75.41 110.51 -177.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.8 mt -94.02 128.13 40.21 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 107.589 -1.263 . . . . 74.12 107.589 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.413 ' HB2' ' HE2' ' A' ' 78' ' ' LYS . 2.7 m-20 -67.68 144.69 97.73 Favored Pre-proline 0 C--O 1.239 0.51 0 CA-C-O 117.492 -1.242 . . . . 74.51 107.805 173.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.92 -32.67 35.16 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 123.962 3.108 . . . . 74.15 112.446 -174.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -57.28 -32.03 66.21 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.236 0.615 . . . . 74.34 112.438 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.97 172.88 12.82 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 122.404 1.097 . . . . 73.13 111.763 -170.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.0 p -122.66 -86.98 0.64 Allowed 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.083 1.753 . . . . 74.31 107.214 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.7 tpt -163.62 -37.3 0.03 OUTLIER 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 126.756 2.022 . . . . 73.51 109.357 171.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -56.81 -48.43 77.98 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.33 1.052 . . . . 72.35 111.398 -172.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.57 24.51 0.58 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.757 1.623 . . . . 70.44 112.061 177.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.8 mt -123.48 -41.96 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 126.186 1.794 . . . . 73.55 108.511 166.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.4 mt -64.69 -14.71 59.56 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 120.043 1.292 . . . . 74.24 114.062 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -86.97 -14.7 64.2 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 119.653 1.115 . . . . 63.13 112.96 173.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -141.44 12.68 2.15 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 119.001 1.401 . . . . 75.42 114.604 -172.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.9 tp -127.48 19.31 6.82 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.699 1.199 . . . . 75.51 108.911 170.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -122.58 54.25 5.7 Favored Pre-proline 0 N--CA 1.449 -0.523 0 O-C-N 120.819 -1.175 . . . . 75.21 112.442 -174.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -74.38 -16.95 21.64 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 121.878 1.719 . . . . 74.41 113.375 170.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -137.37 -66.86 0.5 Allowed 'General case' 0 C--N 1.343 0.324 0 CA-C-N 119.597 1.089 . . . . 75.53 110.735 -177.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.51 127.12 31.74 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 107.243 -1.392 . . . . 74.55 107.243 171.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.7 t -134.02 82.5 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 106.934 -1.506 . . . . 73.53 106.934 -172.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -75.48 154.53 36.92 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.981 0.419 . . . . 74.15 111.633 -169.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.9 m -86.36 58.17 4.9 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.891 1.276 . . . . 72.32 110.372 174.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.5 t 58.21 -81.2 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 126.269 1.828 . . . . 73.35 113.16 171.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 t -62.96 -23.2 67.3 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 119.958 1.254 . . . . 71.23 113.231 -174.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -45.52 -35.6 3.99 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 120.475 1.488 . . . . 73.55 110.938 167.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.0 t -89.31 102.74 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 CA-C-O 121.688 0.756 . . . . 73.53 109.454 172.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.62 118.48 12.54 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.282 1.433 . . . . 74.32 108.905 165.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 23.6 t -122.29 115.48 46.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 126.41 1.884 . . . . 61.32 108.523 174.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.4 mt -87.54 150.33 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 125.097 1.359 . . . . 61.11 108.364 172.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.87 157.64 39.94 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 124.434 1.094 . . . . 74.33 109.108 167.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -73.61 168.32 19.56 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.939 0.876 . . . . 61.53 111.94 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -83.04 -51.46 7.53 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.235 1.414 . . . . 73.53 109.448 175.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -68.22 -60.66 2.3 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 119.224 0.92 . . . . 73.25 110.166 176.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 45.5 p -82.65 -19.92 37.29 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.986 -0.285 . . . . 63.22 110.771 -161.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 60.97 15.65 6.29 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.016 1.727 . . . . 72.23 112.307 -176.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.0 mt -108.43 157.68 18.2 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 125.538 1.535 . . . . 74.14 109.018 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -63.59 167.44 5.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 122.697 1.237 . . . . 62.45 113.873 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -84.02 -12.97 54.38 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.382 1.873 . . . . 74.45 112.322 -176.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.79 13.24 54.02 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 126.397 1.951 . . . . 53.24 113.409 -176.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -154.7 165.52 36.29 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 125.372 1.469 . . . . 74.35 109.355 176.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -152.6 168.06 26.83 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.236 1.414 . . . . 72.31 109.857 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -130.23 105.8 8.16 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 124.427 1.091 . . . . 73.33 110.261 -164.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.0 mt -75.19 143.33 13.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 124.891 1.276 . . . . 74.21 109.366 169.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -122.74 124.49 43.49 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 126.611 1.964 . . . . 73.12 107.175 170.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.9 mt -135.68 178.02 7.37 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.864 2.066 . . . . 74.52 108.533 178.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.5 m -60.92 159.15 11.82 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 123.591 0.756 . . . . 73.33 110.466 168.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.1 p -61.95 -30.83 71.18 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.811 0.844 . . . . 73.23 112.323 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.1 mm -87.73 -49.21 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 123.964 0.906 . . . . 71.25 109.637 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.19 -46.8 87.32 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 118.878 -0.582 . . . . 73.15 110.505 -172.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.1 -55.71 19.1 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.471 -0.566 . . . . 70.33 109.471 178.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.5 -57.75 10.63 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.058 0.943 . . . . 72.31 111.244 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -55.04 -53.42 56.01 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 123.407 0.683 . . . . 72.43 111.412 -173.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.18 -39.83 86.48 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.54 1.136 . . . . 73.25 109.562 -173.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.3 -42.09 85.88 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 118.067 -0.968 . . . . 74.53 110.455 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -59.24 -34.45 72.23 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.627 0.649 . . . . 74.45 111.167 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 29.1 mt -61.62 -55.61 23.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 N-CA-C 107.682 -1.229 . . . . 74.42 107.682 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -57.76 -14.44 5.81 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.659 1.584 . . . . 71.55 114.76 174.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -97.72 14.73 25.83 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 119.72 1.145 . . . . 62.35 112.041 177.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -144.16 13.9 1.64 Allowed 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 114.708 1.373 . . . . 73.14 114.708 -173.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.18 -163.5 1.39 Allowed 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.755 1.222 . . . . 75.55 112.758 -168.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -70.92 146.44 93.05 Favored Pre-proline 0 CA--C 1.548 0.878 0 O-C-N 122.086 -0.384 . . . . 75.44 110.364 175.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -66.93 169.49 14.75 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 124.283 3.322 . . . . 55.45 113.162 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -71.5 155.49 59.53 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.475 2.117 . . . . 73.15 113.744 -174.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.6 tt -75.33 119.75 19.86 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 128.201 2.601 . . . . 74.43 107.484 173.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.82 135.17 34.21 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.216 -0.927 . . . . 75.32 108.932 176.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.82 13.48 6.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 122.969 0.508 . . . . 75.15 110.938 -171.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -168.67 32.94 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.593 1.557 . . . . 74.12 109.653 177.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.11 21.48 66.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 120.827 -1.171 . . . . 72.55 114.142 -178.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.413 ' HE2' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -119.93 111.6 18.13 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 127.63 2.372 . . . . 74.43 108.134 174.143 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 50.3 m -84.13 125.49 32.21 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.809 -0.812 . . . . 75.22 108.809 177.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 19.8 mm -71.18 165.81 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 124.315 1.046 . . . . 75.32 109.77 -174.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.9 162.73 21.68 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 126.839 2.056 . . . . 75.35 109.422 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.4 t -103.52 143.09 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 125.498 1.519 . . . . 74.32 109.191 166.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -139.35 161.49 37.33 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.983 0.913 . . . . 72.53 109.468 155.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -135.06 95.58 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 125.195 1.398 . . . . 74.43 108.856 -173.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.08 85.09 6.91 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 107.543 -1.281 . . . . 43.15 107.543 169.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.9 tptt . . . . . 0 C--N 1.329 -0.284 0 C-N-CA 128.256 2.622 . . . . 74.33 107.762 172.786 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 N--CA 1.437 -1.124 0 CA-C-O 122.608 1.194 . . . . 74.14 110.942 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -135.84 107.93 7.2 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.845 -1.169 . . . . 73.34 107.845 170.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.8 mt -85.93 143.77 10.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 104.519 -2.4 . . . . 72.41 104.519 157.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.5 mp -121.96 153.21 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 125.629 1.572 . . . . 74.21 107.124 175.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.7 mt -118.77 154.19 33.22 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.385 -0.968 . . . . 73.42 108.385 172.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.414 ' HB2' ' HB2' ' A' ' 81' ' ' ASN . 5.9 mtp-105 -135.32 165.6 25.08 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.063 0.945 . . . . 73.32 109.43 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 63.4 t30 64.46 41.4 5.67 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.113 1.365 . . . . 73.3 111.431 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.29 123.57 28.62 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 104.902 -2.259 . . . . 75.31 104.902 174.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -64.88 157.07 77.34 Favored Pre-proline 0 C--O 1.238 0.472 0 N-CA-C 108.302 -0.999 . . . . 64.24 108.302 171.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -70.42 -32.92 14.99 Favored 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 121.621 1.547 . . . . 75.51 110.382 -173.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -70.84 -16.86 62.74 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 125.412 1.485 . . . . 64.54 113.918 176.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.0 m -65.75 158.36 27.79 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.158 -0.682 . . . . 71.4 109.158 -177.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 p -135.32 158.74 43.6 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 104.628 -2.36 . . . . 72.24 104.628 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.9 ttp -57.18 -50.93 71.3 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 106.502 -1.666 . . . . 72.23 106.502 175.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -69.29 -37.6 77.91 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.795 0.838 . . . . 74.32 112.559 -172.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.82 -53.84 53.3 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 123.322 0.649 . . . . 74.34 110.083 171.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.1 mt -69.87 -34.49 60.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 108.294 -1.002 . . . . 74.34 108.294 -177.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.5 mt -62.09 -34.52 76.45 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 117.87 -1.062 . . . . 72.44 111.668 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.07 -25.62 40.0 Favored Glycine 0 CA--C 1.523 0.582 0 CA-C-O 118.974 -0.903 . . . . 74.23 113.437 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -110.58 -16.77 13.57 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 118.479 1.139 . . . . 74.45 113.839 -167.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.4 tp -110.75 40.17 2.07 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.932 1.293 . . . . 74.31 108.41 173.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.81 53.59 7.47 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 113.382 0.882 . . . . 73.35 113.382 -174.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -71.96 -33.2 10.13 Favored 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 121.264 1.309 . . . . 63.12 111.699 166.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -122.73 -23.94 4.98 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.062 0.945 . . . . 65.23 112.477 -166.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -135.67 117.79 15.44 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 119.121 0.873 . . . . 71.01 109.392 168.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.2 t -98.64 89.02 1.76 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 N-CA-C 105.841 -1.911 . . . . 70.25 105.841 172.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.0 mt -68.95 169.86 10.85 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 108.76 -0.829 . . . . 73.35 108.76 -177.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.7 m -98.0 158.39 15.57 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 120.879 -1.138 . . . . 71.15 109.511 165.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.7 m -60.22 -29.71 68.91 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.303 -0.873 . . . . 71.14 112.675 174.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.4 m -62.92 -26.78 68.96 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 119.3 0.955 . . . . 74.43 112.635 174.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -75.5 -26.82 58.46 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 119.273 0.942 . . . . 63.35 111.185 177.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.3 t -109.59 108.11 24.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 118.957 0.799 . . . . 73.22 110.675 -158.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.94 113.85 26.23 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 124.434 1.093 . . . . 74.43 108.846 178.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.0 t -117.43 110.7 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 106.487 -1.671 . . . . 72.23 106.487 174.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.1 mt -75.32 129.02 37.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 N-CA-C 107.631 -1.248 . . . . 73.44 107.631 175.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -111.23 146.51 36.82 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 126.417 1.887 . . . . 75.2 109.159 173.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -74.87 -178.51 3.76 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.175 0.59 . . . . 72.4 111.13 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -123.69 -25.92 4.24 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.858 1.263 . . . . 74.53 112.082 173.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.83 -56.54 3.43 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 107.06 -1.459 . . . . 74.34 107.06 173.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.6 p -78.52 -22.39 47.4 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 117.946 0.339 . . . . 74.13 110.816 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 57.38 13.45 1.78 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 128.89 2.876 . . . . 75.24 114.778 -169.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.9 mt -107.01 167.17 10.08 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 120.43 1.468 . . . . 73.51 110.213 -173.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.64 155.46 33.27 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.186 -0.946 . . . . 64.4 110.554 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -68.61 -13.2 62.19 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.852 1.056 . . . . 75.21 113.852 171.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.1 13.3 31.71 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 124.165 0.888 . . . . 61.42 114.274 170.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -142.4 173.28 11.67 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 127.501 2.32 . . . . 73.33 107.336 171.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -149.82 164.62 34.85 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 107.954 -1.128 . . . . 62.02 107.954 173.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -123.26 152.23 41.56 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.283 1.433 . . . . 75.15 107.206 176.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 51.5 mt -133.41 114.22 20.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 128.084 2.554 . . . . 73.32 104.762 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.36 107.04 17.82 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 104.365 -2.458 . . . . 74.43 104.365 -177.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 mt -109.9 -170.71 1.7 Allowed 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.334 1.054 . . . . 75.45 109.179 -175.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.82 160.18 32.25 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.481 -0.762 . . . . 62.22 110.046 158.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.8 p -54.65 -60.51 3.26 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 124.406 1.083 . . . . 72.22 110.261 176.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.9 mt -60.33 -47.78 90.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 124.921 1.289 . . . . 73.04 109.224 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -62.41 -44.96 95.19 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 118.706 0.685 . . . . 75.01 111.74 -172.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.87 -50.98 70.84 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.873 0.869 . . . . 72.42 109.029 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.42 -58.4 8.19 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 118.758 -0.639 . . . . 73.42 110.566 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -51.57 -60.22 3.39 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 125.777 1.631 . . . . 75.23 111.356 -174.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -55.7 -44.85 77.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.418 0.687 . . . . 74.22 109.622 -177.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.96 -36.27 83.41 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 118.996 -0.526 . . . . 75.01 111.511 -177.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -57.53 -45.27 85.24 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 108.826 -0.805 . . . . 73.05 108.826 177.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.5 mt -62.44 -48.81 86.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 N-CA-C 107.873 -1.158 . . . . 74.25 107.873 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.1 mt -58.23 -14.39 7.04 Favored 'General case' 0 C--N 1.342 0.241 0 N-CA-C 114.653 1.353 . . . . 74.03 114.653 177.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -110.5 14.48 22.5 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.243 0.929 . . . . 74.42 112.406 173.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -123.69 -14.85 7.17 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 126.56 1.944 . . . . 71.34 113.356 177.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.95 -170.22 1.63 Allowed 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 114.825 1.417 . . . . 74.31 114.825 -155.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.3 144.22 88.09 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 125.683 1.593 . . . . 72.14 111.784 171.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -71.41 154.7 60.74 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.635 2.223 . . . . 63.35 111.977 -168.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -66.55 134.89 37.1 Favored 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 122.595 2.196 . . . . 71.13 112.762 -167.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -68.62 119.34 12.9 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 127.458 2.303 . . . . 72.35 109.121 -175.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 t -82.48 145.9 29.55 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 109.054 -0.721 . . . . 72.44 109.054 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -130.27 14.16 2.23 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 122.843 0.457 . . . . 73.3 110.833 -174.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -168.54 37.07 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.921 1.288 . . . . 74.3 109.156 171.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.05 13.94 54.55 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 125.017 1.294 . . . . 72.13 114.768 -175.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.53 111.21 22.94 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 126.769 2.028 . . . . 71.43 108.647 175.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.43 110.05 6.56 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.206 -1.035 . . . . 72.03 108.206 174.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.9 mm -61.5 138.47 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 126.121 1.768 . . . . 71.34 108.192 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.414 ' HB2' ' HB2' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -93.36 164.12 13.34 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.285 1.834 . . . . 64.12 108.736 170.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.6 t -124.38 143.95 35.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 125.278 1.431 . . . . 74.14 107.216 170.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -130.78 165.04 23.83 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 126.167 1.787 . . . . 75.02 108.657 166.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -137.13 84.04 2.04 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 124.664 1.185 . . . . 73.41 110.468 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.99 61.39 5.24 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 108.983 -0.747 . . . . 75.41 108.983 176.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.541 0.625 0 C-N-CA 124.433 1.093 . . . . 72.42 108.27 175.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 CA--C 1.533 0.293 0 CA-C-O 123.268 1.509 . . . . 74.4 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 m -121.56 106.51 11.44 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.353 1.461 . . . . 73.4 107.223 -169.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.6 mt -78.74 129.49 37.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 105.537 -2.023 . . . . 73.02 105.537 174.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.4 mt -107.2 140.89 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 106.672 -1.603 . . . . 73.34 106.672 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.0 mt -107.73 155.1 20.56 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 108.882 -0.785 . . . . 70.12 108.882 165.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -139.55 171.21 14.57 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 127.524 2.33 . . . . 74.43 109.143 -170.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 66.5 t30 53.11 34.62 17.7 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.408 1.483 . . . . 74.22 110.33 -176.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.7 mt -77.61 112.96 14.96 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 106.233 -1.766 . . . . 72.1 106.233 176.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.424 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 1.0 OUTLIER -59.91 144.85 85.53 Favored Pre-proline 0 CA--C 1.515 -0.387 0 N-CA-C 106.253 -1.758 . . . . 65.24 106.253 -179.535 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -62.83 -30.27 77.45 Favored 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 121.609 1.54 . . . . 73.31 112.286 -175.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -74.82 -14.89 60.74 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 113.811 1.041 . . . . 73.2 113.811 175.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.0 m -76.54 160.25 29.63 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 121.377 -0.827 . . . . 73.13 109.335 172.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.13 172.87 12.39 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 127.053 2.141 . . . . 74.4 107.535 159.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -55.7 -32.72 63.55 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-O 118.371 -0.823 . . . . 75.32 109.552 170.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.82 -28.59 69.96 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 119.204 0.911 . . . . 62.54 110.625 -174.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.5 m -78.46 -58.77 3.08 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.02 0.928 . . . . 71.44 109.11 172.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.8 mt -59.01 -43.87 89.91 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.464 0 C-N-CA 123.781 0.832 . . . . 73.44 110.048 -171.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.1 mt -70.88 -14.77 62.51 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 124.154 0.982 . . . . 75.12 113.529 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.66 -17.88 50.39 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 118.93 -0.928 . . . . 64.23 112.815 176.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.72 -14.19 4.11 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.751 1.221 . . . . 65.1 113.339 -168.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.18 30.69 4.98 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 126.103 1.761 . . . . 73.51 109.503 -178.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -122.24 55.05 6.03 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 124.141 0.976 . . . . 72.42 112.777 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.475 ' HG2' ' CD1' ' A' ' 27' ' ' TYR . 84.3 Cg_endo -79.29 -24.64 6.42 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 122.222 1.948 . . . . 71.41 112.172 165.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.475 ' CD1' ' HG2' ' A' ' 26' ' ' PRO . 62.4 m-85 -122.09 -51.99 1.98 Allowed 'General case' 0 C--N 1.344 0.363 0 C-N-CA 124.529 1.132 . . . . 74.42 111.496 -169.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.86 117.81 35.08 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 107.648 -1.242 . . . . 44.23 107.648 175.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.8 t -130.85 77.04 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 107.307 -1.368 . . . . 75.43 107.307 -161.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -77.52 160.82 28.37 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.652 -0.704 . . . . 72.43 111.735 -168.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.98 24.46 1.29 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.599 1.96 . . . . 73.41 111.069 178.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.3 m 61.65 -49.43 0.14 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.589 2.356 . . . . 75.34 115.782 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 p -58.6 -26.45 63.68 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 121.468 1.94 . . . . 73.11 111.972 175.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -60.69 -24.68 65.82 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-O 118.249 -0.881 . . . . 73.43 111.514 174.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.6 t -104.97 94.55 3.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 C-N-CA 124.922 1.289 . . . . 72.24 108.89 -166.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.46 86.58 0.11 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.307 1.443 . . . . 74.42 110.174 174.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.9 t -92.63 89.57 2.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 126.123 1.769 . . . . 72.42 107.07 169.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.409 HD11 ' H ' ' A' ' 38' ' ' ILE . 0.6 OUTLIER -72.08 121.78 23.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 N-CA-C 107.61 -1.255 . . . . 72.14 107.61 175.658 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.28 155.26 36.86 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 120.707 -0.397 . . . . 73.2 110.816 170.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -70.58 165.78 22.03 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.774 1.229 . . . . 71.12 110.123 165.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -113.87 14.25 18.54 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 114.049 1.129 . . . . 74.21 114.049 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -127.75 -51.43 1.35 Allowed 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 119.138 0.881 . . . . 72.42 108.74 170.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.1 p -77.04 -19.66 56.9 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.855 0.317 . . . . 65.1 111.855 -176.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 62.47 15.72 8.05 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.755 2.022 . . . . 74.21 113.107 -171.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.5 mt -94.54 -169.16 1.98 Allowed 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 125.641 1.576 . . . . 74.23 109.292 178.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -96.65 164.57 12.53 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.114 0.87 . . . . 74.42 110.146 175.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -83.3 13.5 4.25 Favored 'General case' 0 CA--C 1.555 1.172 0 N-CA-C 114.068 1.136 . . . . 74.2 114.068 -170.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.84 13.16 65.89 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 128.072 2.749 . . . . 71.43 116.294 -176.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -150.94 167.48 27.45 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 120.819 -1.4 . . . . 71.13 108.638 167.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.25 155.66 35.61 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 123.943 0.897 . . . . 63.41 109.436 173.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -116.94 120.43 38.4 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 125.679 1.592 . . . . 74.12 108.013 -169.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.42 ' C ' HE21 ' A' ' 53' ' ' GLN . 31.1 mt -82.18 141.42 15.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 C-N-CA 125.222 1.409 . . . . 72.01 107.717 167.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.42 HE21 ' C ' ' A' ' 52' ' ' ILE . 0.5 OUTLIER -129.59 79.39 1.91 Allowed 'General case' 0 C--O 1.239 0.551 0 C-N-CA 125.545 1.538 . . . . 74.03 107.24 170.817 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.0 mt -71.47 177.2 4.13 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.894 1.278 . . . . 75.21 109.768 165.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.12 155.25 3.71 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 108.608 -0.886 . . . . 75.03 108.608 159.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.8 p -58.02 -52.83 63.89 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.529 0.68 . . . . 74.31 111.429 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.6 mm -69.99 -40.58 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 122.926 0.491 . . . . 74.43 109.728 -176.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.96 -52.87 63.71 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.827 -0.805 . . . . 74.03 108.827 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.13 -53.28 28.63 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.591 1.156 . . . . 50.14 110.598 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.79 -39.96 95.5 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 112.703 0.631 . . . . 70.21 112.703 -175.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -66.09 -58.97 4.27 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.336 1.055 . . . . 74.3 109.315 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.444 HD13 ' CD2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -59.5 -41.98 91.13 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.258 1.023 . . . . 74.41 110.117 -171.186 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.3 tp -53.15 -45.91 68.62 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 121.913 -0.492 . . . . 74.41 110.722 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -69.59 -24.03 63.61 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 118.196 0.453 . . . . 72.11 111.963 -173.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.66 -60.29 2.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 106.51 -1.663 . . . . 71.32 106.51 164.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.444 ' CD2' HD13 ' A' ' 62' ' ' LEU . 2.8 mm? -60.47 -17.28 43.95 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 114.575 1.324 . . . . 72.12 114.575 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -100.68 13.34 35.13 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.397 0.999 . . . . 72.3 112.295 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -154.38 -14.43 0.13 Allowed 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 114.709 1.374 . . . . 64.01 114.709 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -162.7 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.709 2.004 . . . . 62.44 113.645 175.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -65.68 145.86 99.01 Favored Pre-proline 0 CA--C 1.54 0.573 0 N-CA-C 113.245 0.832 . . . . 71.3 113.245 169.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -66.71 160.99 43.77 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 123.266 2.644 . . . . 72.13 112.239 -170.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -67.33 158.71 55.7 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.548 2.165 . . . . 74.32 112.481 -174.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.2 tt -112.76 122.96 49.2 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 126.179 1.791 . . . . 72.51 107.896 -168.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.5 t -77.22 141.9 39.82 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.438 0.695 . . . . 70.5 110.347 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -130.14 14.47 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 124.607 1.163 . . . . 74.5 110.529 -178.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -167.7 24.65 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.6 1.16 . . . . 65.4 110.673 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.93 24.84 76.7 Favored Glycine 0 CA--C 1.532 1.109 0 O-C-N 121.297 -0.877 . . . . 73.52 114.851 -174.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.424 ' HE3' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -125.58 119.98 29.58 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 126.726 2.01 . . . . 74.13 109.741 174.264 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.7 m -78.05 116.1 18.27 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 119.58 1.082 . . . . 74.44 108.463 172.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.4 mm -58.91 160.45 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 124.025 0.93 . . . . 73.32 109.7 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -126.27 155.56 41.71 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 125.298 1.439 . . . . 73.22 107.799 171.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.3 t -119.95 144.62 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 C-N-CA 125.496 1.518 . . . . 71.33 107.96 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -141.5 169.91 16.7 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 127.644 2.377 . . . . 73.41 107.623 176.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -126.09 158.42 35.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 106.351 -1.722 . . . . 74.41 106.351 169.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -145.92 73.56 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 105.984 -1.858 . . . . 72.24 105.984 168.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.534 0 N-CA-C 106.729 -1.582 . . . . 70.23 106.729 -176.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 125.335 2.493 . . . . 74.04 110.92 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.8 m -117.67 109.09 16.22 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 111.144 -2.753 . . . . 64.02 107.971 176.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mt -74.77 126.65 35.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 106.05 -1.833 . . . . 74.33 106.05 163.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.6 mt -98.79 135.89 31.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 N-CA-C 107.194 -1.41 . . . . 74.04 107.194 172.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.4 mt -87.99 160.03 18.05 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.707 0.803 . . . . 74.2 109.978 168.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -137.16 172.7 12.61 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.368 -0.832 . . . . 74.3 109.485 170.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 62.7 t30 58.39 46.01 15.94 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 125.761 1.624 . . . . 64.14 111.513 176.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 43.3 mt -85.6 119.44 25.94 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 106.859 -1.534 . . . . 74.2 106.859 171.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.428 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 5.2 m-20 -62.48 158.44 49.12 Favored Pre-proline 0 C--O 1.236 0.379 0 N-CA-C 108.817 -0.808 . . . . 74.12 108.817 163.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -82.22 -15.64 8.87 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 124.211 3.274 . . . . 74.11 112.703 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.84 -14.21 61.46 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.364 1.866 . . . . 71.34 112.076 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.2 m -108.42 154.35 22.0 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.257 1.423 . . . . 74.13 108.007 165.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.1 t -123.56 -57.82 1.63 Allowed 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 106.497 -1.668 . . . . 70.43 106.497 173.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 27.5 ttm -157.71 -56.38 0.08 Allowed 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 123.087 0.555 . . . . 74.32 110.557 -175.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.54 -23.06 66.17 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.314 1.046 . . . . 65.22 112.824 -173.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 t -95.21 24.76 4.73 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.305 1.842 . . . . 74.4 110.216 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mt -137.38 -48.69 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 124.908 1.283 . . . . 73.21 107.827 176.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -52.75 -44.32 66.37 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-O 118.777 -0.63 . . . . 74.32 112.45 -168.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.64 24.89 27.42 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 124.967 1.27 . . . . 73.01 112.698 -174.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.95 -40.32 0.44 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.994 1.317 . . . . 70.4 109.882 178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.6 tp -81.29 19.4 0.96 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.818 1.647 . . . . 73.33 110.994 173.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.68 61.9 1.27 Allowed Pre-proline 0 CA--C 1.541 0.603 0 C-N-CA 124.243 1.017 . . . . 71.3 112.158 175.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -85.68 -18.13 3.91 Favored 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 123.155 2.57 . . . . 73.41 113.841 163.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -124.15 -65.01 1.09 Allowed 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 121.214 1.824 . . . . 73.44 110.219 -177.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.89 114.52 28.78 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 125.585 1.554 . . . . 71.43 108.153 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.5 t -84.86 105.44 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 N-CA-C 106.908 -1.516 . . . . 72.1 106.908 173.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.6 mt -78.6 163.75 25.24 Favored 'General case' 0 N--CA 1.464 0.246 0 O-C-N 121.325 -0.86 . . . . 70.34 111.801 -177.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.74 24.45 10.57 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.373 1.069 . . . . 62.03 112.015 -177.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.4 t 73.07 -56.4 0.66 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.587 1.555 . . . . 71.31 113.007 164.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 p -60.71 -30.68 70.1 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.529 1.531 . . . . 72.4 111.927 174.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -51.05 -31.99 20.39 Favored 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 125.318 1.447 . . . . 72.41 110.533 171.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.5 t -94.81 101.53 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 C-N-CA 124.553 1.141 . . . . 72.34 108.495 -165.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.0 111.96 19.75 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 125.872 1.669 . . . . 73.23 108.591 170.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.8 t -113.36 102.2 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 127.462 2.305 . . . . 70.33 107.693 171.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 49.4 mt -62.97 138.66 22.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 107.282 -1.377 . . . . 72.2 107.282 164.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 46' ' ' ASN . 43.7 mttt -126.81 149.27 49.78 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 107.781 -1.192 . . . . 72.04 107.781 178.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -44.39 -86.77 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.555 1.542 . . . . 71.4 113.486 -177.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.6 mttp 172.41 -55.77 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 127.828 2.451 . . . . 71.12 105.461 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.9 -38.54 8.19 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 113.888 -1.506 . . . . 72.02 109.715 -166.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.5 p -77.98 -14.06 59.66 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 120.875 0.369 . . . . 70.44 111.961 -171.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 56.3 14.52 1.6 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 127.186 2.195 . . . . 73.13 113.262 -167.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.4 mt -89.93 179.5 5.95 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.989 1.716 . . . . 73.02 111.36 174.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 8.2 p30 -114.65 165.11 13.14 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.631 1.572 . . . . 72.14 110.916 -174.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -79.29 -14.8 58.79 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.04 1.336 . . . . 71.4 112.446 -175.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.4 12.93 34.38 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 125.526 1.536 . . . . 53.42 114.73 174.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -148.96 159.33 44.31 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 125.352 1.461 . . . . 63.11 108.136 173.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -139.28 165.65 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 123.945 0.898 . . . . 63.03 108.747 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -121.34 137.94 54.48 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.408 -1.701 . . . . 74.31 106.408 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.7 mt -139.82 122.1 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 127.21 2.204 . . . . 74.0 107.852 -172.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.9 152.13 48.88 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 119.079 0.854 . . . . 74.4 111.222 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.2 mt -137.13 -174.49 3.75 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.513 2.325 . . . . 71.31 109.254 -168.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.74 155.74 15.33 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.38 1.072 . . . . 73.23 109.795 165.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.1 p -61.93 -49.36 76.45 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.734 0.778 . . . . 73.21 112.742 -169.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 74.2 mt -67.29 -46.65 83.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 124.128 0.971 . . . . 74.14 109.816 174.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.08 -48.33 82.18 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 124.278 1.031 . . . . 73.43 110.959 -171.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.99 -58.76 4.79 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.943 1.297 . . . . 74.2 110.071 176.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.35 -41.58 96.69 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.875 0.87 . . . . 72.24 111.492 -174.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -58.74 -57.65 12.08 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.504 -0.747 . . . . 73.02 109.842 176.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.405 HD11 ' CD2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -62.24 -42.04 98.96 Favored 'General case' 0 N--CA 1.455 -0.208 0 O-C-N 123.644 0.59 . . . . 73.22 109.593 -173.868 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.7 tp -53.2 -44.32 67.87 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 122.676 0.391 . . . . 71.3 110.849 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -65.92 -28.3 68.83 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 117.842 0.292 . . . . 74.42 111.553 -176.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 74.5 mt -60.59 -55.6 23.37 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 N-CA-C 108.102 -1.073 . . . . 74.2 108.102 170.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.405 ' CD2' HD11 ' A' ' 62' ' ' LEU . 3.6 mm? -56.11 -16.04 4.55 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.482 1.113 . . . . 73.11 113.86 176.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -107.8 20.71 18.43 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.409 1.483 . . . . 72.11 111.967 178.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -139.98 -30.7 0.68 Allowed 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.755 1.222 . . . . 63.33 113.868 175.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.97 -162.15 0.91 Allowed 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 114.029 1.122 . . . . 74.23 114.029 -164.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -76.89 152.04 82.43 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 126.961 2.104 . . . . 73.1 112.985 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.16 161.04 35.82 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 123.612 2.875 . . . . 72.13 113.391 -165.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -73.66 145.12 36.56 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 122.852 2.368 . . . . 65.23 113.032 -172.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.52 118.23 5.81 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 126.676 1.99 . . . . 71.0 109.331 168.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.17 150.34 31.72 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 124.346 1.058 . . . . 73.32 108.289 170.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.69 14.16 4.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 124.125 0.97 . . . . 72.34 110.91 -176.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -174.53 34.52 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.901 1.28 . . . . 73.12 110.464 -177.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.2 14.84 55.27 Favored Glycine 0 CA--C 1.538 1.484 0 O-C-N 120.303 -1.498 . . . . 44.51 114.896 -174.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.428 ' HE3' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -111.28 110.95 21.68 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 126.507 1.923 . . . . 73.11 109.911 172.348 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.58 119.65 19.07 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.055 -0.72 . . . . 65.24 109.055 172.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 22.9 mm -69.19 150.59 10.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 123.637 0.775 . . . . 74.32 109.775 -177.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.44 172.38 6.92 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.017 0.927 . . . . 65.42 112.115 174.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.0 t -126.58 152.77 34.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 125.894 1.678 . . . . 61.32 107.807 -174.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -155.64 172.72 17.82 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 127.808 2.443 . . . . 72.41 107.339 171.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -140.86 92.8 2.53 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 123.353 0.661 . . . . 73.42 109.238 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.47 68.97 9.13 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 122.348 1.07 . . . . 65.24 108.294 168.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.4 tptp . . . . . 0 N--CA 1.446 -0.662 0 N-CA-C 106.544 -1.65 . . . . 72.3 106.544 167.321 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.272 0.0 OUTLIER . . . . . 0 CA--C 1.504 -0.794 0 CA-C-O 123.582 1.658 . . . . 73.22 111.884 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.5 m -138.87 123.49 18.52 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 112.456 -2.156 . . . . 72.24 107.814 -172.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.9 mt -95.79 110.49 24.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 N-CA-C 105.033 -2.21 . . . . 71.02 105.033 175.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.0 mp -85.71 156.28 3.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.55 -0.907 . . . . 75.1 108.55 173.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.8 mp -122.93 156.08 35.42 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 125.645 1.578 . . . . 73.1 107.254 174.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -140.76 171.53 13.97 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.33 0.968 . . . . 74.21 109.928 175.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.3 t30 61.41 37.39 16.83 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.49 1.516 . . . . 72.42 111.776 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.84 131.25 39.6 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 105.067 -2.197 . . . . 73.54 105.067 169.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.427 ' HB2' ' HE2' ' A' ' 78' ' ' LYS . 1.4 m-20 -70.26 146.73 94.84 Favored Pre-proline 0 N--CA 1.471 0.594 0 CA-C-O 116.901 -1.524 . . . . 71.51 107.437 172.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -62.61 -18.69 65.06 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 123.46 2.773 . . . . 74.4 113.274 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -60.66 -39.19 87.47 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.497 1.119 . . . . 73.32 112.599 173.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.1 p -70.66 158.68 35.79 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.045 0.384 . . . . 73.5 111.824 -170.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.0 p -107.23 -86.13 0.5 Allowed 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 107.603 -1.258 . . . . 74.51 107.603 166.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 37.6 ttp -161.13 -68.48 0.06 Allowed 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 106.476 -1.676 . . . . 74.23 106.476 -164.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.46 -29.58 70.27 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 118.067 0.394 . . . . 73.42 111.019 -174.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 p -64.73 -24.41 67.56 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.259 1.823 . . . . 73.13 113.457 172.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.4 mt -85.9 -47.28 16.66 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.271 0 C-N-CA 124.701 1.2 . . . . 73.53 109.119 171.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.83 -36.39 64.96 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 119.087 0.858 . . . . 71.4 110.776 -175.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.82 -14.18 64.98 Favored Glycine 0 CA--C 1.534 1.233 0 CA-C-O 117.941 -1.477 . . . . 71.5 115.088 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.59 14.95 2.54 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.868 1.834 . . . . 64.5 113.392 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 tp -131.76 21.22 4.61 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.163 0.985 . . . . 73.54 111.107 172.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -126.87 58.88 31.63 Favored Pre-proline 0 CA--C 1.541 0.603 0 O-C-N 120.598 -1.314 . . . . 71.12 112.273 -174.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.92 -37.78 2.64 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 122.278 1.985 . . . . 73.31 113.306 178.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -123.98 -25.26 4.25 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.906 0.776 . . . . 74.03 112.737 -171.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.67 109.03 10.97 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 108.291 -1.003 . . . . 72.42 108.291 172.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.5 t -97.21 108.69 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 107.294 -1.373 . . . . 74.32 107.294 171.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -80.87 161.46 24.4 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 122.872 0.469 . . . . 73.21 110.093 172.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 t -74.05 36.47 0.1 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.001 1.721 . . . . 74.33 112.666 176.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t 59.97 -73.72 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.471 1.908 . . . . 70.14 111.929 -172.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.7 t -55.7 -28.53 56.19 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 126.487 1.915 . . . . 73.14 113.984 -172.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -54.4 -29.41 48.86 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 124.361 1.064 . . . . 71.22 111.357 172.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.2 t -81.39 93.68 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 C-N-CA 125.413 1.485 . . . . 73.21 108.281 168.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.05 114.33 2.53 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 120.819 -1.175 . . . . 72.11 108.819 166.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.0 t -112.68 126.83 70.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 125.082 1.353 . . . . 75.51 107.894 164.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.9 mt -87.25 127.74 40.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 N-CA-C 106.118 -1.808 . . . . 73.12 106.118 165.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -98.81 147.24 25.12 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 106.703 -1.591 . . . . 75.44 106.703 166.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.98 -24.73 67.83 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.461 0.648 . . . . 74.53 110.583 175.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt 74.55 -56.99 0.62 Allowed 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 129.09 2.956 . . . . 72.34 111.42 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -61.77 -36.42 80.99 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 119.511 1.05 . . . . 74.23 111.483 -172.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.5 p -94.28 -12.84 27.29 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 126.035 1.734 . . . . 74.54 111.88 -176.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 70.92 -15.15 0.41 Allowed 'General case' 0 C--N 1.344 0.358 0 C-N-CA 128.628 2.771 . . . . 73.41 114.318 -163.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.1 mt -69.68 172.01 8.15 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 124.288 1.035 . . . . 74.33 110.835 -173.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -101.25 170.13 8.45 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.434 1.093 . . . . 63.12 112.051 170.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -90.49 -14.04 33.52 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.784 0.834 . . . . 75.43 112.612 -176.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.0 13.8 22.51 Favored Glycine 0 CA--C 1.528 0.845 0 CA-C-N 118.955 0.798 . . . . 74.21 113.886 164.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -149.71 170.13 19.42 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 126.602 1.961 . . . . 73.21 107.448 177.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.31 173.42 16.19 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.283 -0.885 . . . . 63.31 108.949 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -139.75 104.89 5.01 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 124.336 1.054 . . . . 74.23 108.303 -172.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.8 mt -70.35 141.78 16.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 120.02 1.282 . . . . 74.34 109.769 165.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -116.23 137.7 51.92 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 107.837 -1.171 . . . . 75.3 107.837 162.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.5 mt -142.17 173.51 11.45 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.44 1.896 . . . . 73.24 108.393 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.15 157.77 2.48 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.98 0.912 . . . . 75.33 110.24 167.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 m -57.42 -57.39 12.87 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.018 0.927 . . . . 74.31 110.852 -171.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.2 mt -70.28 -41.68 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-O 118.335 -0.841 . . . . 72.41 110.317 177.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -57.78 -49.8 75.39 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 119.444 1.02 . . . . 74.33 111.639 -176.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.29 -55.11 11.45 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.151 0.981 . . . . 74.02 109.952 174.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.4 -39.45 85.55 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 112.998 0.74 . . . . 71.14 112.998 -175.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -64.66 -62.25 1.7 Allowed 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 124.108 0.963 . . . . 74.45 109.166 178.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -39.52 75.3 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.967 0.907 . . . . 74.43 109.704 -170.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 tp -52.19 -49.5 63.75 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 119.279 -0.391 . . . . 72.43 110.658 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -61.64 -31.4 71.49 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.367 0.667 . . . . 74.01 111.287 -176.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.6 mt -59.98 -59.01 4.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 106.92 -1.511 . . . . 73.32 106.92 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -58.0 -32.18 67.66 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.185 0.994 . . . . 74.15 111.92 176.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -81.02 13.59 2.66 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.881 0.872 . . . . 74.13 112.842 -177.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -136.06 -37.82 0.71 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.66 1.184 . . . . 71.12 112.3 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 pp -74.38 -175.03 2.19 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.562 0.619 . . . . 74.35 111.076 171.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -48.26 160.73 0.41 Allowed Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 126.241 1.816 . . . . 74.21 112.985 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -65.6 168.34 15.06 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.392 2.061 . . . . 74.25 113.312 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.51 167.78 26.12 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.406 2.737 . . . . 61.24 112.84 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.442 HD21 ' H ' ' A' ' 74' ' ' THR . 0.2 OUTLIER -84.81 -179.09 7.02 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 127.46 2.304 . . . . 72.32 111.031 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.442 ' H ' HD21 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -143.18 160.7 39.94 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 128.734 2.814 . . . . 74.42 105.38 176.287 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.2 mp -134.64 12.59 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 C-N-CA 123.553 0.741 . . . . 71.42 110.163 174.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.447 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 0.6 OUTLIER -174.87 34.67 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 O-C-N 120.459 -1.401 . . . . 72.2 109.571 -165.298 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.12 14.65 47.61 Favored Glycine 0 CA--C 1.535 1.334 0 O-C-N 120.764 -1.21 . . . . 45.42 115.433 -177.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.447 ' HE3' ' HB2' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -112.27 99.81 8.32 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 126.83 2.052 . . . . 72.12 110.214 177.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 m -63.96 116.03 5.46 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.354 -0.98 . . . . 63.51 108.354 174.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.7 mm -62.37 157.51 3.69 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 N-CA-C 108.439 -0.948 . . . . 71.21 108.439 -178.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -116.51 162.89 16.9 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 123.501 0.72 . . . . 72.23 109.781 168.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 23.2 t -124.67 143.53 37.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 125.735 1.614 . . . . 71.42 106.69 -176.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -142.26 167.08 22.96 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 125.87 1.668 . . . . 74.42 108.85 177.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -146.91 99.32 3.17 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 124.153 0.981 . . . . 72.22 110.207 -174.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.34 78.73 1.77 Allowed 'General case' 0 C--O 1.237 0.417 0 N-CA-C 107.257 -1.386 . . . . 75.22 107.257 174.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 107.957 -1.127 . . . . 71.1 107.957 -176.682 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 122.749 1.261 . . . . 73.4 114.033 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -120.96 138.2 54.25 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 113.871 -1.513 . . . . 75.43 107.874 175.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.3 mt -115.52 116.8 53.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 105.001 -2.222 . . . . 75.1 105.001 170.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.1 mt -99.22 135.51 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 106.707 -1.59 . . . . 75.34 106.707 -175.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.6 mt -104.76 155.71 18.65 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 124.0 0.92 . . . . 73.43 109.403 174.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.45 179.78 6.47 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.345 1.458 . . . . 74.5 107.903 170.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.0 t30 53.57 39.66 30.38 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 125.1 1.36 . . . . 73.54 111.701 -174.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.27 130.16 39.6 Favored 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 104.377 -2.453 . . . . 72.34 104.377 162.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -68.35 146.7 98.03 Favored Pre-proline 0 C--O 1.241 0.655 0 N-CA-C 106.052 -1.832 . . . . 60.53 106.052 164.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -73.28 -20.92 20.66 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 122.641 2.228 . . . . 75.1 112.067 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -78.79 13.56 1.65 Allowed 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.174 0.897 . . . . 75.33 112.934 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -122.46 177.9 5.2 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.293 1.837 . . . . 64.44 111.21 170.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.55 -85.87 0.57 Allowed 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.232 1.413 . . . . 73.54 108.174 -177.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.1 ptp -156.68 -50.74 0.08 Allowed 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 119.656 1.116 . . . . 74.1 109.218 174.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -56.49 -33.53 66.08 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.297 1.039 . . . . 61.54 110.201 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -30.65 68.32 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.955 2.102 . . . . 71.4 113.197 177.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 70.1 mt -100.97 -51.65 9.34 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 C-N-CA 127.706 2.403 . . . . 73.54 107.478 -171.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.1 mt -51.0 -37.04 42.64 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 125.649 1.58 . . . . 75.23 112.275 -175.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.79 -13.94 72.42 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-O 118.559 -1.134 . . . . 73.41 114.104 -178.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -133.52 14.08 4.1 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.746 1.273 . . . . 71.51 111.607 178.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.4 tp -122.65 30.92 6.27 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 124.78 1.232 . . . . 75.22 107.778 174.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.28 54.42 8.21 Favored Pre-proline 0 CA--C 1.536 0.405 0 C-N-CA 124.418 1.087 . . . . 74.14 113.032 -176.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -71.78 -18.25 28.57 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 121.803 1.668 . . . . 64.5 113.536 173.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -142.06 -24.04 0.68 Allowed 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 120.099 1.318 . . . . 75.41 113.915 -175.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -134.7 138.87 44.78 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 125.028 1.331 . . . . 73.43 107.455 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 t -129.06 94.99 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 105.888 -1.893 . . . . 74.52 105.888 -168.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 40.5 mt -89.04 160.18 17.21 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.954 0.902 . . . . 75.4 110.834 -165.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 m -98.68 23.54 8.57 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.521 -0.737 . . . . 64.02 112.758 -166.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 m 58.18 -45.8 0.05 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 127.585 2.354 . . . . 75.14 115.122 -167.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 p -58.56 -29.65 66.54 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 120.785 1.629 . . . . 74.41 111.95 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -57.74 -23.72 53.39 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 125.554 1.542 . . . . 75.41 112.65 173.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.6 t -108.86 99.09 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 123.909 0.884 . . . . 72.14 109.141 -164.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -64.38 104.24 0.75 Allowed 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.798 0.839 . . . . 75.43 109.692 172.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.3 t -110.75 91.45 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.12 0 C-N-CA 126.465 1.906 . . . . 72.3 108.044 172.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.9 mt -65.46 144.95 14.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 N-CA-C 106.377 -1.712 . . . . 75.35 106.377 164.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -123.03 159.46 28.37 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 124.328 1.051 . . . . 75.25 109.657 169.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.32 161.34 25.26 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.833 -1.076 . . . . 74.43 109.949 174.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -96.18 -19.9 19.0 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.353 0.871 . . . . 75.12 113.353 176.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -102.88 -36.52 8.2 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 117.972 -1.013 . . . . 75.13 108.938 -165.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.403 HG23 ' H ' ' A' ' 45' ' ' LEU . 13.7 t -103.43 -14.49 16.22 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 118.547 0.612 . . . . 64.45 111.419 173.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.6 mm-40 70.49 -12.73 0.51 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.253 1.421 . . . . 75.52 114.084 -168.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.403 ' H ' HG23 ' A' ' 43' ' ' THR . 84.9 mt -56.44 150.67 14.61 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 120.146 1.339 . . . . 75.24 111.739 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.4 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 8.8 p30 -63.54 160.95 15.49 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 108.918 -0.771 . . . . 71.41 108.918 170.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -76.26 -12.83 60.15 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.545 1.313 . . . . 75.2 114.545 -171.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.76 13.3 44.21 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 125.954 1.74 . . . . 71.4 112.641 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -152.69 165.75 34.3 Favored 'General case' 0 C--O 1.241 0.654 0 C-N-CA 125.948 1.699 . . . . 75.24 108.562 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -151.61 167.99 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 124.116 0.966 . . . . 75.12 109.497 175.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -131.62 108.05 9.25 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 106.943 -1.503 . . . . 75.31 106.943 -176.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.3 mt -73.43 133.46 31.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 N-CA-C 107.107 -1.442 . . . . 75.3 107.107 169.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.88 91.0 3.49 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 104.582 -2.377 . . . . 74.51 104.582 163.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.1 mt -81.25 178.85 8.13 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.028 -1.101 . . . . 75.22 108.028 163.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 t -71.7 173.24 8.41 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.723 -0.611 . . . . 75.4 109.53 164.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.9 p -58.43 -66.97 0.4 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.335 1.054 . . . . 73.54 110.936 -175.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.0 mm -63.92 -39.01 83.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 123.787 0.835 . . . . 75.13 109.305 -176.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.58 -52.2 64.56 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.555 1.142 . . . . 71.52 109.82 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.43 -50.95 69.48 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.391 1.077 . . . . 74.22 109.891 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.14 -52.1 66.65 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.779 0.831 . . . . 61.31 110.87 -174.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -59.56 -55.87 29.05 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 118.63 -0.7 . . . . 75.4 109.35 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -53.1 -48.06 68.1 Favored 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 123.772 0.829 . . . . 75.34 110.687 -174.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 tp -56.36 -55.25 35.85 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 122.899 0.48 . . . . 74.53 109.801 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -64.49 -33.99 77.18 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.266 0.626 . . . . 74.4 110.958 -174.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 36.3 mt -59.53 -63.38 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 123.755 0.822 . . . . 72.22 109.926 169.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.3 mt -54.08 -37.57 64.38 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.77 1.168 . . . . 74.21 112.527 -176.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -78.02 14.59 1.09 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.881 0.872 . . . . 70.54 112.491 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -117.64 -16.52 10.08 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 117.876 -1.059 . . . . 73.53 113.359 172.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 pp -127.2 179.99 5.16 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.552 1.141 . . . . 75.54 111.463 -159.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -45.41 144.71 2.24 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 124.608 1.163 . . . . 71.11 112.827 -177.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.12 160.73 47.47 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.251 1.967 . . . . 62.2 113.1 -172.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -60.73 139.67 86.76 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 123.679 2.919 . . . . 75.51 113.336 -174.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -73.7 123.46 24.13 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 127.635 2.374 . . . . 75.41 109.637 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.49 142.27 31.04 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.223 1.009 . . . . 75.31 110.297 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -136.2 51.31 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 124.237 1.015 . . . . 72.5 109.816 177.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.409 ' HB2' ' HZ1' ' A' ' 78' ' ' LYS . 7.4 t0 173.84 17.58 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 128.992 2.917 . . . . 63.12 111.316 162.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.08 33.75 62.1 Favored Glycine 0 CA--C 1.527 0.833 0 O-C-N 121.353 -0.842 . . . . 74.34 111.781 -165.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.409 ' HZ1' ' HB2' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -126.56 96.03 4.54 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 120.746 -1.443 . . . . 75.2 111.76 171.13 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.7 m -59.43 111.78 1.51 Allowed 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.301 -1.499 . . . . 73.24 107.83 173.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.7 mm -64.34 144.27 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 N-CA-C 108.193 -1.04 . . . . 74.51 108.193 -178.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.5 162.69 13.54 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 123.016 0.527 . . . . 75.53 110.352 173.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.3 t -125.0 148.19 29.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 107.111 -1.44 . . . . 72.54 107.111 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -151.47 169.43 22.06 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 128.822 2.849 . . . . 74.52 107.209 169.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -130.18 139.81 50.81 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 126.586 1.955 . . . . 71.24 106.357 178.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -140.21 86.31 2.07 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 107.509 -1.293 . . . . 73.21 107.509 171.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.663 0 N-CA-C 106.949 -1.501 . . . . 74.41 106.949 -175.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 N--CA 1.445 -0.68 0 N-CA-C 104.799 -2.297 . . . . 71.41 104.799 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.0 m -115.05 104.44 11.89 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.491 -1.67 . . . . 73.05 106.491 173.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.1 mt -73.73 131.13 35.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 105.202 -2.147 . . . . 74.03 105.202 167.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.3 mt -111.07 147.58 14.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 106.817 -1.549 . . . . 74.02 106.817 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -110.3 155.67 21.77 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.624 1.169 . . . . 74.05 107.983 170.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.1 mtp85 -139.54 174.49 10.46 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.317 1.047 . . . . 73.01 110.388 173.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 53.4 t30 61.42 34.15 18.35 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.354 1.862 . . . . 64.31 112.16 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.28 129.0 37.39 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 106.393 -1.706 . . . . 74.24 106.393 170.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -65.22 154.11 87.97 Favored Pre-proline 0 N--CA 1.47 0.56 0 N-CA-C 106.752 -1.573 . . . . 74.12 106.752 165.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -60.63 -23.63 76.31 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 123.501 2.801 . . . . 71.43 112.804 172.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 58.5 m170 -60.71 -27.93 68.26 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.545 1.066 . . . . 73.14 112.742 170.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 m -63.04 147.57 50.31 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 108.332 -0.988 . . . . 70.44 108.332 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.255 2.5 t -129.44 -85.83 0.54 Allowed 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 107.18 -1.415 . . . . 73.02 107.18 -178.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.7 ttp -158.28 -66.65 0.09 Allowed 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 125.595 1.558 . . . . 74.34 108.046 175.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -61.71 -31.11 71.25 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 125.706 1.602 . . . . 74.01 111.61 -174.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.5 t -55.0 -46.55 75.18 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.639 1.576 . . . . 74.42 110.061 171.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.6 mt -71.89 -47.61 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 124.924 1.29 . . . . 74.33 107.796 -176.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.85 -15.87 45.76 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 118.632 -0.699 . . . . 74.01 111.919 176.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.75 -21.05 69.66 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-O 118.36 -1.245 . . . . 63.02 113.563 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -128.99 -39.64 1.56 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.804 1.302 . . . . 71.33 112.674 -173.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.5 tp -86.53 30.67 0.7 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.583 1.953 . . . . 72.44 109.844 176.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.67 53.47 0.72 Allowed Pre-proline 0 CA--C 1.551 1.007 0 O-C-N 121.172 -0.955 . . . . 52.32 112.109 166.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -75.28 -30.4 6.82 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.602 2.201 . . . . 71.33 113.821 171.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -139.73 -24.87 0.83 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.611 1.096 . . . . 74.44 112.861 -171.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -138.16 114.56 10.34 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 107.709 -1.219 . . . . 65.25 107.709 -171.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.9 t -131.02 87.6 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 108.1 -1.074 . . . . 70.14 108.1 -161.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -62.21 165.82 5.46 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.525 -0.761 . . . . 71.21 111.851 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 57.7 m -77.66 35.5 0.19 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.869 1.268 . . . . 71.24 111.505 168.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.1 m 63.63 -70.64 0.07 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.863 2.065 . . . . 71.33 112.275 -178.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -24.72 67.63 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 120.348 1.431 . . . . 61.43 112.688 -168.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -50.21 -29.77 10.1 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 124.988 1.315 . . . . 73.34 111.496 169.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.4 t -81.0 91.95 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 C-N-CA 124.853 1.261 . . . . 71.42 107.668 170.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.94 111.66 2.59 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 120.784 -1.197 . . . . 64.34 108.333 169.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -109.04 119.21 58.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 125.776 1.63 . . . . 72.31 107.9 164.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.6 mt -77.17 133.49 30.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 N-CA-C 106.481 -1.674 . . . . 72.45 106.481 165.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.72 142.56 43.9 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.45 1.1 . . . . 70.04 108.463 175.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -54.36 162.74 1.01 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.089 1.356 . . . . 65.45 111.256 168.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.97 -21.78 12.68 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.113 0.965 . . . . 73.21 111.465 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.72 -62.3 1.42 Allowed 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.659 -1.237 . . . . 65.12 107.659 173.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.2 p -83.41 -14.17 53.24 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 112.141 0.423 . . . . 73.24 112.141 -163.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 72.72 -13.77 0.63 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.758 2.023 . . . . 73.34 113.431 -177.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.38 -179.07 0.14 Allowed 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 128.276 2.63 . . . . 74.43 111.391 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -102.12 173.82 6.21 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.946 0.898 . . . . 73.01 110.094 175.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.6 mmp_? -88.05 -13.74 40.74 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 115.179 1.548 . . . . 71.25 115.179 -175.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.89 13.27 22.24 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 127.237 2.351 . . . . 62.32 114.129 171.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -152.96 173.33 15.53 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 127.392 2.277 . . . . 73.21 107.448 176.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -150.53 168.65 23.61 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 124.628 1.171 . . . . 74.44 108.915 175.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -135.46 110.56 8.89 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.339 1.055 . . . . 64.24 108.612 -172.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.3 mt -75.24 140.74 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 120.046 1.293 . . . . 73.43 108.994 168.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -121.54 112.73 18.85 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 123.828 0.851 . . . . 70.33 109.055 169.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.4 mt -121.37 178.44 4.79 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 125.061 1.345 . . . . 74.22 110.835 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.39 148.76 4.66 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.942 0.897 . . . . 74.22 109.371 156.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.7 m -48.39 -67.07 0.3 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.788 1.635 . . . . 74.44 110.898 171.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.6 mt -69.22 -37.05 75.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 N-CA-C 109.177 -0.675 . . . . 74.31 109.177 -169.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.44 -55.7 31.33 Favored 'General case' 0 CA--C 1.523 -0.093 0 C-N-CA 123.197 0.599 . . . . 72.42 110.515 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.79 -54.96 15.99 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.61 0.764 . . . . 73.23 110.83 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.46 -33.43 75.91 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.278 0.631 . . . . 74.13 112.599 -174.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -68.48 -56.88 6.87 Favored 'General case' 0 CA--C 1.515 -0.371 0 C-N-CA 123.42 0.688 . . . . 72.25 111.045 174.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.26 -44.8 92.39 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 123.634 0.774 . . . . 74.31 110.014 -171.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.92 -38.77 73.32 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 120.895 -0.322 . . . . 72.35 110.661 -175.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -62.4 -31.11 71.73 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 111.886 0.328 . . . . 74.33 111.886 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.0 mt -63.73 -54.18 35.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 N-CA-C 106.945 -1.502 . . . . 74.34 106.945 177.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -55.21 -13.44 1.28 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.945 2.098 . . . . 73.32 114.45 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -97.54 14.47 26.43 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.911 1.232 . . . . 72.43 113.07 175.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.23 -33.01 1.53 Allowed 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.854 1.798 . . . . 73.44 115.854 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.84 175.77 0.25 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.789 1.236 . . . . 71.32 113.502 167.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -55.09 155.2 9.04 Favored Pre-proline 0 CA--C 1.542 0.639 0 C-N-CA 124.625 1.17 . . . . 74.35 111.079 162.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -63.53 165.72 17.21 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.815 3.01 . . . . 72.25 114.54 -175.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -68.28 143.87 60.19 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 123.5 2.8 . . . . 74.05 113.167 -173.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.3 120.7 24.14 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 124.955 1.302 . . . . 70.12 109.76 -176.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.62 153.82 42.48 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.862 0.865 . . . . 73.41 109.239 176.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -131.77 13.21 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 123.361 0.664 . . . . 72.23 111.506 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.41 ' CB ' ' HE3' ' A' ' 78' ' ' LYS . 1.5 t70 -171.21 32.84 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.252 1.021 . . . . 65.15 109.718 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.33 16.47 71.35 Favored Glycine 0 CA--C 1.534 1.237 0 O-C-N 120.663 -1.273 . . . . 71.22 114.415 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.41 ' HE3' ' CB ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -117.14 108.63 15.93 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 127.726 2.41 . . . . 71.44 108.565 178.645 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 56.0 m -76.57 114.75 15.64 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.019 -1.104 . . . . 73.14 108.019 175.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 32.7 mm -61.11 157.6 2.94 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 125.986 1.714 . . . . 73.13 108.681 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.12 159.65 21.45 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.894 1.678 . . . . 54.55 108.327 173.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.5 t -121.17 136.69 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 125.171 1.389 . . . . 71.34 107.608 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -128.72 163.33 25.37 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 124.521 1.129 . . . . 71.23 109.587 165.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -127.03 93.22 3.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.064 -1.425 . . . . 74.22 108.78 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.0 86.16 7.36 Favored 'General case' 0 C--O 1.226 -0.137 0 N-CA-C 107.869 -1.16 . . . . 74.02 107.869 168.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.7 tptt . . . . . 0 CA--C 1.511 -0.554 0 C-N-CA 127.791 2.437 . . . . 73.24 107.959 174.404 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 CA--C 1.537 0.449 0 N-CA-C 105.502 -2.036 . . . . 75.12 105.502 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.2 m -146.78 131.49 17.92 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 105.428 -2.064 . . . . 75.25 105.428 150.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.6 mt -106.05 132.85 52.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 105.541 -2.022 . . . . 64.11 105.541 169.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.8 mt -100.82 132.19 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 N-CA-C 106.626 -1.62 . . . . 73.31 106.626 170.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.1 mt -89.65 151.07 22.07 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.179 -1.045 . . . . 64.33 108.179 164.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 mtp-105 -133.02 172.76 12.2 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.458 1.103 . . . . 75.01 108.773 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.0 t30 57.83 42.02 23.93 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 125.097 1.359 . . . . 75.04 110.19 175.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.7 mt -89.34 130.48 35.71 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 105.233 -2.136 . . . . 75.12 105.233 171.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -73.62 159.14 85.23 Favored Pre-proline 0 C--O 1.237 0.435 0 N-CA-C 109.946 -0.39 . . . . 73.31 109.946 -177.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.36 -42.21 58.07 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 123.732 2.955 . . . . 75.02 111.993 174.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -67.45 -17.04 64.54 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.876 1.27 . . . . 75.02 113.987 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.5 m -70.68 172.97 7.76 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 120.786 -1.196 . . . . 75.31 109.855 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.283 1.7 t -129.2 -86.03 0.55 Allowed 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 106.031 -1.841 . . . . 71.03 106.031 165.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.6 ptp -159.45 -40.48 0.06 Allowed 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 119.964 1.256 . . . . 74.35 109.542 166.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.31 -25.63 68.4 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.007 0.367 . . . . 73.21 111.591 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -49.18 -43.07 41.83 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.344 1.458 . . . . 73.24 110.667 169.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.1 mp -87.34 -48.99 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 C-N-CA 125.447 1.499 . . . . 74.41 108.647 -178.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.05 -28.7 69.66 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 113.51 0.93 . . . . 75.23 113.51 -166.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -97.02 14.14 64.19 Favored Glycine 0 CA--C 1.523 0.544 0 CA-C-O 118.765 -1.02 . . . . 61.23 113.121 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -124.38 -64.63 1.1 Allowed 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.617 1.567 . . . . 75.11 107.971 175.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.77 45.53 1.3 Allowed 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 127.071 2.148 . . . . 74.32 110.145 -169.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -122.03 54.0 4.86 Favored Pre-proline 0 CA--C 1.539 0.544 0 O-C-N 121.202 -0.936 . . . . 75.54 112.52 171.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -72.52 -18.41 25.84 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.901 1.734 . . . . 74.33 113.561 171.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -129.93 -25.06 2.58 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 119.098 0.863 . . . . 75.54 113.162 -173.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.43 116.18 6.33 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 107.835 -1.172 . . . . 74.53 107.835 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.6 t -105.91 95.96 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 107.133 -1.432 . . . . 72.31 107.133 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -76.96 164.12 26.07 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 110.438 -0.208 . . . . 72.55 110.438 172.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 m -83.66 160.94 21.24 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.645 0.736 . . . . 62.03 110.916 155.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.2 p -60.4 -28.16 68.02 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.05 0.94 . . . . 74.04 112.854 173.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 p -67.14 -33.04 74.59 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 124.409 1.083 . . . . 72.14 111.713 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -73.68 -22.67 59.87 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 117.945 -1.026 . . . . 74.34 110.293 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.4 t -108.6 88.47 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-O 123.105 1.431 . . . . 63.42 109.331 -172.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -65.22 109.46 2.23 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 114.373 -1.285 . . . . 73.03 109.88 172.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.2 t -110.29 107.53 23.14 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.18 0 C-N-CA 125.762 1.625 . . . . 75.45 107.124 169.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 49.3 mt -66.38 119.45 11.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 N-CA-C 106.568 -1.641 . . . . 72.35 106.568 167.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -82.57 154.56 24.94 Favored 'General case' 0 N--CA 1.44 -0.937 0 N-CA-C 108.658 -0.868 . . . . 73.32 108.658 162.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -60.51 -26.38 66.8 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.895 0.855 . . . . 74.01 110.212 163.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm 75.14 -67.98 0.23 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 127.937 2.495 . . . . 64.31 107.751 -171.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -61.46 -47.36 86.03 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 120.002 1.274 . . . . 72.45 113.791 -169.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.7 p -74.63 -13.32 60.63 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.601 0.76 . . . . 75.42 110.839 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 63.26 14.33 7.71 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 129.945 3.298 . . . . 74.04 112.706 -170.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.6 mt -91.93 175.28 6.94 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.08 0.952 . . . . 74.32 109.316 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -88.51 -173.3 4.11 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.631 0.772 . . . . 75.23 109.864 172.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -95.54 -13.82 24.14 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.423 -0.798 . . . . 75.12 112.025 161.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.99 12.97 51.31 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.394 1.473 . . . . 52.55 114.203 168.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -135.61 165.85 24.58 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.386 1.475 . . . . 75.31 107.215 161.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.73 160.95 37.82 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 124.238 1.015 . . . . 71.21 109.184 175.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -118.65 108.92 15.51 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.779 -1.193 . . . . 75.11 107.779 -177.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 18.8 mt -79.68 142.81 13.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 125.149 1.379 . . . . 72.45 108.195 170.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -128.91 95.75 4.17 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 126.466 1.907 . . . . 75.11 107.801 171.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mt -96.79 -173.01 2.6 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.033 0.933 . . . . 73.32 110.497 -177.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.46 151.31 46.65 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.018 1.327 . . . . 71.44 108.623 157.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.7 m -48.31 -60.18 2.86 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.266 1.026 . . . . 60.43 111.517 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.7 mm -69.63 -45.16 78.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 C-N-CA 123.418 0.687 . . . . 75.24 109.245 -173.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -55.19 -45.52 75.82 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.203 0.601 . . . . 74.34 109.948 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.26 -54.0 35.83 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.959 1.304 . . . . 60.44 109.534 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.21 -48.49 81.25 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.193 0.997 . . . . 74.42 110.712 -169.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -66.05 -51.92 53.76 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.336 0.655 . . . . 74.23 110.146 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -52.91 -41.79 64.76 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 123.817 0.847 . . . . 75.52 111.389 -178.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.3 tp -56.09 -48.95 75.16 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.241 -0.651 . . . . 75.45 109.241 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -61.19 -34.95 75.9 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 117.802 0.274 . . . . 71.12 111.481 -179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 67.1 mt -64.69 -54.52 29.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 108.276 -1.009 . . . . 73.32 108.276 175.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.9 mt -56.39 -18.99 12.78 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.888 1.069 . . . . 74.45 113.888 175.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -97.82 12.88 32.45 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 118.983 0.811 . . . . 63.52 111.733 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -147.71 -21.39 0.37 Allowed 'General case' 0 C--O 1.236 0.36 0 N-CA-C 115.176 1.547 . . . . 75.35 115.176 -175.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -175.25 5.32 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.465 1.106 . . . . 75.35 112.525 178.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.33 144.84 81.95 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 123.559 0.744 . . . . 72.34 112.404 171.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -66.09 160.16 46.0 Favored 'Trans proline' 0 N--CA 1.455 -0.764 1 C-N-CA 125.64 4.227 . . . . 75.13 113.724 -171.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -77.26 149.09 27.65 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 123.271 2.647 . . . . 74.15 114.911 -171.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.29 122.52 18.53 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 127.961 2.504 . . . . 62.41 109.08 171.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.87 144.23 43.47 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 124.48 1.112 . . . . 71.05 110.233 179.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.0 17.78 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.144 0.978 . . . . 74.42 111.966 -176.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.47 ' HB3' ' HE3' ' A' ' 78' ' ' LYS . 15.7 t70 -164.58 29.07 0.07 Allowed 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.121 -0.987 . . . . 74.23 110.214 167.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.32 18.07 77.96 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.332 0.968 . . . . 43.35 114.676 -170.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.47 ' HE3' ' HB3' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -121.48 119.19 31.3 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.719 2.008 . . . . 74.15 110.82 175.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.04 124.66 26.68 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 120.877 -1.14 . . . . 64.15 110.51 174.153 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.1 mm -67.25 147.84 12.36 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 119.535 1.062 . . . . 74.41 110.063 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -130.07 176.29 8.2 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 124.548 1.139 . . . . 75.41 111.454 174.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 t -133.56 136.42 54.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 124.215 1.006 . . . . 74.34 108.94 -167.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -125.23 164.14 20.95 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.201 -1.037 . . . . 75.24 108.201 158.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -119.06 111.73 18.66 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 105.749 -1.945 . . . . 75.31 105.749 178.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.03 47.67 1.09 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 124.661 1.185 . . . . 64.15 109.198 -172.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.323 0 N-CA-C 107.777 -1.194 . . . . 75.41 107.777 176.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.444 -0.735 0 CA-C-O 125.143 2.401 . . . . 74.44 111.998 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.0 m -115.77 123.81 49.19 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 111.577 -2.556 . . . . 64.45 108.794 171.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 52.2 mt -93.98 117.4 37.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 104.399 -2.445 . . . . 65.25 104.399 159.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.2 mp -92.38 144.11 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 106.43 -1.693 . . . . 71.45 106.43 172.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mp -110.28 150.78 28.23 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 106.997 -1.483 . . . . 75.43 106.997 167.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.4 mtp85 -130.18 170.72 13.7 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 107.421 -1.326 . . . . 74.43 107.421 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 51.1 t30 67.3 30.11 7.23 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.014 1.725 . . . . 75.02 113.222 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.46 117.34 15.1 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 119.901 -1.749 . . . . 74.15 107.454 174.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.469 ' H ' ' HE3' ' A' ' 78' ' ' LYS . 2.2 m-20 -67.96 162.26 60.65 Favored Pre-proline 0 C--O 1.235 0.336 0 C-N-CA 123.56 0.744 . . . . 75.24 110.167 175.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.02 -31.54 14.8 Favored 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 123.547 2.831 . . . . 73.24 112.128 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.64 -14.98 61.72 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.47 1.108 . . . . 73.02 113.688 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.0 m -90.36 166.49 13.27 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.903 1.229 . . . . 74.0 109.877 167.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 t -135.83 -39.92 0.7 Allowed 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 125.268 1.427 . . . . 71.34 110.058 176.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.6 ttp -175.06 -60.08 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.693 0 C-N-CA 126.101 1.76 . . . . 74.24 108.686 165.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -51.85 -31.57 28.38 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 126.412 1.885 . . . . 70.41 113.153 -163.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.7 m -63.35 -59.62 4.46 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 109.988 -0.375 . . . . 75.23 109.988 173.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.3 mt -53.69 -43.83 56.45 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 C-N-CA 124.474 1.11 . . . . 73.35 108.302 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.7 tp -69.13 -21.85 64.0 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 113.567 0.951 . . . . 72.55 113.567 -166.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -107.37 -22.48 7.42 Favored Glycine 0 CA--C 1.526 0.779 0 CA-C-O 119.218 -0.768 . . . . 52.03 112.452 177.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.23 -46.88 12.16 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 118.79 1.295 . . . . 74.45 109.393 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.0 tp -81.78 20.17 0.99 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.899 0.88 . . . . 73.51 110.133 -173.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.51 53.27 2.95 Favored Pre-proline 0 CA--C 1.543 0.699 0 C-N-CA 125.124 1.37 . . . . 72.41 113.862 -171.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -68.79 -23.22 35.84 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 121.397 1.398 . . . . 73.42 112.112 167.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -130.53 -24.22 2.52 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.573 1.149 . . . . 73.15 112.704 -176.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.53 103.58 4.11 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.792 0.837 . . . . 72.23 110.351 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.7 t -80.54 108.07 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 104.121 -2.548 . . . . 74.24 104.121 157.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.16 157.03 35.27 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 119.528 -0.869 . . . . 71.11 109.934 167.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 m -84.69 155.34 21.98 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 121.98 0.895 . . . . 72.13 109.271 168.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.4 p -64.19 -24.92 67.85 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 114.008 1.114 . . . . 73.14 114.008 -172.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 t -64.52 -48.42 75.18 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.231 -0.655 . . . . 74.33 109.231 173.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -63.08 -17.92 62.82 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 124.978 1.311 . . . . 74.54 112.405 -172.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.2 t -118.31 96.24 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-O 122.719 1.247 . . . . 72.55 109.935 -170.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.4 112.42 16.62 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 108.125 -1.065 . . . . 74.11 108.125 170.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.5 t -108.1 101.48 12.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 103.761 -2.681 . . . . 72.02 103.761 160.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.1 mt -68.57 136.23 26.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 N-CA-C 106.055 -1.832 . . . . 72.32 106.055 171.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -129.82 160.93 31.97 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.63 0.772 . . . . 74.4 109.331 177.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -68.67 -175.48 0.68 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.778 0.831 . . . . 64.33 112.024 -175.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.21 -40.81 4.33 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.363 1.465 . . . . 74.32 111.234 174.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -101.99 -36.82 8.47 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.388 0.675 . . . . 64.02 110.801 -172.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.3 p -81.24 -21.5 39.42 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.752 0.705 . . . . 73.31 110.716 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.2 mm-40 56.95 44.78 22.42 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.765 2.026 . . . . 54.53 111.304 -174.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -137.83 159.8 41.01 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.536 1.062 . . . . 75.04 110.862 177.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -56.97 162.89 2.23 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.18 1.392 . . . . 74.24 111.822 178.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.95 -14.53 61.06 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.035 -1.04 . . . . 70.13 111.754 167.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.89 -14.31 52.74 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 119.937 1.244 . . . . 73.04 114.229 178.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -128.53 163.73 24.33 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 119.51 1.655 . . . . 74.22 109.235 169.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -147.09 157.01 43.47 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.727 1.211 . . . . 64.44 110.406 -171.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -130.12 99.09 4.94 Favored 'General case' 0 C--N 1.334 -0.093 0 C-N-CA 124.423 1.089 . . . . 74.13 111.321 -158.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.6 mt -79.59 137.87 20.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 N-CA-C 108.061 -1.088 . . . . 72.54 108.061 170.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.06 119.02 31.26 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.734 2.014 . . . . 73.55 105.766 169.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.2 mt -124.22 169.01 12.16 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.519 1.128 . . . . 73.14 108.681 176.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.2 t -65.24 164.6 13.03 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.119 0.568 . . . . 73.55 110.44 175.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.5 p -53.29 -67.18 0.28 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.235 1.414 . . . . 65.51 111.722 -167.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.4 mm -68.75 -37.92 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 O-C-N 121.271 -0.893 . . . . 71.54 110.186 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -57.93 -49.35 77.05 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 124.41 1.084 . . . . 74.55 110.904 -173.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.17 -54.04 41.7 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.045 1.338 . . . . 72.43 110.445 176.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.76 -43.84 92.0 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.934 0.493 . . . . 71.44 110.556 -176.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -59.43 -56.29 23.9 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 123.799 0.84 . . . . 64.14 110.301 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -54.53 -52.1 63.09 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 124.373 1.046 . . . . 75.23 109.261 -177.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.9 tp -50.54 -53.6 28.98 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.685 0.794 . . . . 73.14 110.623 -176.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -63.92 -23.44 67.34 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.62 0.6 . . . . 64.22 112.62 -172.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.7 mt -66.69 -59.88 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 N-CA-C 108.002 -1.11 . . . . 75.23 108.002 174.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.17 -22.81 63.38 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.289 -0.882 . . . . 64.24 112.698 -178.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -84.97 14.43 4.92 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.008 1.323 . . . . 72.41 113.273 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.51 -43.32 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 123.777 0.831 . . . . 64.45 111.99 -178.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 pp -77.08 -168.89 1.18 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.219 1.408 . . . . 73.25 112.565 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -53.05 157.16 3.08 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 126.354 1.862 . . . . 64.43 113.214 -177.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -66.56 161.52 40.98 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 123.209 2.606 . . . . 74.52 112.151 -176.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -63.76 141.82 80.35 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 123.107 2.538 . . . . 74.31 112.648 -176.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.53 114.48 16.41 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 126.153 1.781 . . . . 74.25 108.613 -175.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.2 t -71.08 159.34 34.88 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.955 0.883 . . . . 75.41 110.826 172.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -138.44 15.95 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 125.968 1.707 . . . . 73.31 110.399 -175.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.1 t70 178.19 42.62 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 127.563 2.345 . . . . 72.15 109.093 173.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.46 -14.23 1.89 Allowed Glycine 0 CA--C 1.535 1.298 0 O-C-N 120.286 -1.509 . . . . 75.14 115.716 -178.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.469 ' HE3' ' H ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -83.63 109.45 17.45 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 120.342 2.071 . . . . 75.42 109.371 177.777 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.53 113.92 6.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 121.205 1.82 . . . . 75.43 108.694 174.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.6 mm -59.12 165.27 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-O 122.232 1.015 . . . . 74.22 109.306 178.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.48 161.13 27.79 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 126.97 2.108 . . . . 74.14 107.217 -176.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 19.4 t -129.83 143.24 41.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 105.543 -2.021 . . . . 73.41 105.543 177.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.08 165.05 28.5 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 124.969 1.308 . . . . 75.32 108.413 178.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -141.17 105.34 4.81 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.15 -1.055 . . . . 75.51 108.15 -174.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.13 65.79 1.21 Allowed 'General case' 0 C--O 1.239 0.519 0 CA-C-O 122.716 1.246 . . . . 63.23 109.592 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? . . . . . 0 CA--C 1.544 0.739 0 C-N-CA 128.869 2.867 . . . . 73.43 111.921 177.763 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 CA--C 1.533 0.292 0 CA-C-O 122.619 1.2 . . . . 52.33 108.456 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.7 m -120.38 124.47 45.58 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 125.006 1.322 . . . . 72.23 108.441 -174.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.2 mt -86.96 134.11 28.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 106.135 -1.802 . . . . 74.35 106.135 165.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mp -112.0 155.1 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 106.897 -1.52 . . . . 75.34 106.897 162.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.6 mt -125.58 159.67 31.52 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 125.286 1.435 . . . . 75.44 108.704 177.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.7 mtt-85 -134.35 163.15 30.3 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.86 0.864 . . . . 73.54 109.42 173.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 58.8 t30 74.18 39.57 0.48 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.639 1.976 . . . . 71.11 112.698 175.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.37 97.85 10.22 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 120.207 -1.558 . . . . 75.15 108.208 176.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.507 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 2.1 m-20 -49.53 154.6 1.57 Allowed Pre-proline 0 N--CA 1.479 0.994 0 C-N-CA 123.846 0.858 . . . . 74.24 111.068 175.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -56.49 -47.73 22.48 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.694 2.929 . . . . 72.3 112.129 -175.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -83.86 13.86 4.51 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.479 0.918 . . . . 73.33 113.479 -175.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.6 t -73.57 -22.54 60.03 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 114.816 1.413 . . . . 74.45 114.816 -172.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.13 -164.86 0.22 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.954 1.302 . . . . 74.45 112.939 -175.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 61.9 ttp -115.46 -59.02 2.06 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 124.433 1.093 . . . . 73.33 109.191 170.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -60.57 -30.48 69.82 Favored 'General case' 0 N--CA 1.462 0.142 0 O-C-N 123.482 0.489 . . . . 74.11 111.353 -173.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.6 t -49.68 -63.47 1.1 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.942 1.697 . . . . 73.14 110.065 168.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.6 mt -60.31 -42.79 91.94 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.253 0 C-N-CA 125.727 1.611 . . . . 75.14 109.616 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.3 mt -53.95 -44.32 70.61 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 119.575 1.08 . . . . 75.22 109.76 177.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -86.38 14.18 55.46 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-O 117.281 -1.844 . . . . 73.41 115.232 -177.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.55 -37.85 0.68 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.137 1.468 . . . . 74.13 112.786 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 tp -95.14 31.31 1.94 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 127.27 2.228 . . . . 75.35 110.042 -178.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.77 54.29 13.63 Favored Pre-proline 0 CA--C 1.54 0.574 0 O-C-N 121.202 -0.937 . . . . 73.15 112.119 173.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.86 -32.86 13.31 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 121.386 1.391 . . . . 75.43 112.15 176.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -107.15 -28.36 10.01 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 117.96 -1.019 . . . . 75.53 112.834 -174.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.95 133.93 12.26 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 125.617 1.567 . . . . 71.51 108.717 -169.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.0 t -112.66 96.35 4.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 118.917 0.781 . . . . 72.52 111.063 -163.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.59 169.95 6.97 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 125.794 1.637 . . . . 74.23 112.91 177.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.9 m -130.45 163.87 26.02 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.804 1.642 . . . . 73.45 111.679 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.8 p -76.44 -24.94 53.96 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 115.706 1.743 . . . . 74.12 115.706 -163.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.6 t -69.17 -34.86 75.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 119.13 0.877 . . . . 74.33 109.669 172.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -68.55 -37.42 79.93 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.639 -0.504 . . . . 72.14 109.639 -176.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.4 t -90.41 144.72 8.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 123.881 0.872 . . . . 72.22 110.784 -174.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.82 90.95 2.9 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 120.676 -1.265 . . . . 74.05 110.275 -173.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.6 t -93.58 85.79 2.0 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 C-N-CA 127.442 2.297 . . . . 74.22 107.978 169.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.6 mt -59.62 122.96 11.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 C-N-CA 125.83 1.652 . . . . 73.02 106.917 171.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -92.9 156.65 16.81 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 118.931 0.787 . . . . 73.44 109.766 172.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -71.3 175.97 4.95 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 118.652 0.66 . . . . 73.33 110.944 166.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -112.06 -14.69 13.4 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 114.53 1.307 . . . . 73.42 114.53 169.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.32 -56.41 2.63 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 120.233 1.379 . . . . 73.04 109.547 175.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.9 p -74.63 -15.1 60.83 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 119.59 1.087 . . . . 74.34 112.202 -174.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 68.22 -14.31 0.25 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.864 1.666 . . . . 70.32 113.318 -168.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.9 -172.7 0.88 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.673 1.589 . . . . 75.4 110.239 -174.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.5 p30 -75.9 -173.74 2.4 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.748 2.019 . . . . 74.04 112.287 167.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -111.85 -13.83 13.62 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.162 1.785 . . . . 73.33 113.53 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.79 14.5 36.93 Favored Glycine 0 N--CA 1.469 0.873 0 CA-C-N 119.914 1.234 . . . . 61.41 114.698 172.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -145.42 168.18 21.16 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 125.645 1.578 . . . . 75.01 106.814 170.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -146.31 158.09 43.85 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 120.418 -1.426 . . . . 75.23 108.7 166.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -113.08 160.11 18.51 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.066 -1.457 . . . . 73.12 107.066 176.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 45.1 mt -142.23 118.97 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 126.776 2.03 . . . . 74.25 105.611 177.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.89 86.44 2.34 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 105.541 -2.022 . . . . 72.51 105.541 -177.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 mt -85.52 -171.88 3.84 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.556 -0.715 . . . . 71.53 109.358 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.1 t -68.79 159.01 33.19 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 108.892 -0.781 . . . . 71.35 108.892 162.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 p -45.23 -68.92 0.16 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 127.19 2.196 . . . . 72.32 111.641 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.3 mm -62.32 -46.0 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 C-N-CA 125.212 1.405 . . . . 74.13 109.396 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -60.5 -48.8 80.16 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 123.087 0.555 . . . . 73.33 111.334 -175.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.88 -40.14 79.53 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.404 1.082 . . . . 73.14 111.14 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.96 -59.0 3.6 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.393 0.677 . . . . 72.13 110.328 174.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -48.74 -57.81 5.75 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 125.162 1.385 . . . . 74.35 110.161 -177.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -55.17 -51.04 67.78 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 124.615 1.166 . . . . 74.14 110.085 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.8 tt -57.07 -47.49 80.88 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-O 118.602 -0.713 . . . . 62.33 110.608 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -56.67 -35.8 68.85 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 122.981 0.512 . . . . 75.35 112.314 -175.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.4 mt -59.64 -65.12 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 124.559 1.144 . . . . 71.44 110.042 177.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.16 -14.55 25.82 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.767 0.827 . . . . 73.14 113.03 -176.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -95.88 14.8 22.23 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.497 1.519 . . . . 72.35 111.858 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -142.24 13.95 2.02 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 114.071 1.137 . . . . 74.31 114.071 -178.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.3 pp -163.07 145.01 10.06 Favored 'General case' 0 CA--C 1.514 -0.442 0 O-C-N 120.679 -1.263 . . . . 73.11 110.116 -175.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 55.61 167.22 0.05 OUTLIER Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.835 1.254 . . . . 75.21 113.502 175.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -69.15 169.57 17.83 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 121.086 1.191 . . . . 74.13 110.252 166.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -64.81 157.0 58.68 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 122.862 2.375 . . . . 73.21 111.258 158.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.416 HD13 ' H ' ' A' ' 74' ' ' THR . 0.2 OUTLIER -91.3 170.83 9.66 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 127.827 2.451 . . . . 72.54 108.657 -175.307 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.416 ' H ' HD13 ' A' ' 73' ' ' LEU . 10.7 t -145.23 151.15 37.93 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 121.579 -0.7 . . . . 75.34 111.255 164.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -138.2 18.52 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 127.248 2.219 . . . . 75.54 110.343 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -163.7 31.04 0.08 Allowed 'General case' 0 N--CA 1.48 1.072 0 O-C-N 119.525 -1.984 . . . . 72.35 109.567 167.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.72 13.75 59.48 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 125.017 1.294 . . . . 63.14 114.792 -173.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.507 ' HE3' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -112.36 113.96 26.43 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 119.194 1.497 . . . . 74.13 108.971 173.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.93 120.13 18.13 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.324 -0.86 . . . . 63.43 109.212 -177.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.7 mm -71.97 134.52 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 N-CA-C 109.425 -0.583 . . . . 74.25 109.425 -173.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.5 157.89 16.78 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.436 1.494 . . . . 73.32 108.614 169.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.5 t -127.02 149.58 32.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 124.902 1.281 . . . . 74.53 107.579 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -142.97 164.53 29.84 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 125.683 1.593 . . . . 71.23 109.096 174.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -138.26 88.32 2.3 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 125.143 1.377 . . . . 75.31 108.161 -174.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -93.08 76.77 4.67 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 107.724 -1.213 . . . . 41.35 107.724 176.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? . . . . . 0 N--CA 1.443 -0.808 0 N-CA-C 108.499 -0.926 . . . . 74.11 108.499 -174.882 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.441 ' OD2' ' HE2' ' A' ' 86' ' ' LYS . 1.7 m-20 . . . . . 0 N--CA 1.448 -0.54 0 N-CA-C 104.297 -2.483 . . . . 74.34 104.297 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.5 m -98.45 134.04 41.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.206 -0.906 . . . . 72.41 109.101 174.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.0 mt -97.35 131.62 43.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 N-CA-C 104.988 -2.227 . . . . 75.4 104.988 163.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.6 mt -106.77 150.78 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 106.056 -1.831 . . . . 75.41 106.056 172.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 mp -120.83 155.23 34.52 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 125.061 1.344 . . . . 73.01 107.488 175.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.9 mtp85 -138.59 173.91 11.09 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.721 0.808 . . . . 75.44 109.562 175.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.7 t30 62.54 30.26 17.09 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.797 2.039 . . . . 73.34 112.184 -174.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.7 124.24 24.31 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 119.545 -1.972 . . . . 71.34 105.943 173.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -64.11 153.07 86.37 Favored Pre-proline 0 C--O 1.236 0.385 0 CA-C-O 118.9 -0.571 . . . . 74.44 109.685 175.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -59.21 -43.89 38.15 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 122.961 2.441 . . . . 73.0 111.34 172.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -66.71 -14.76 62.91 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.903 1.281 . . . . 75.3 113.932 176.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 t -69.44 164.46 23.0 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 120.024 1.283 . . . . 75.43 109.334 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.409 HG23 ' H ' ' A' ' 19' ' ' SER . 12.4 t -124.63 -164.24 1.25 Allowed 'General case' 0 C--O 1.236 0.384 0 N-CA-C 107.463 -1.31 . . . . 74.4 107.463 168.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 51.5 ttm -85.21 -55.67 3.92 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 126.565 1.946 . . . . 75.04 107.233 169.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -57.74 -28.9 64.32 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.065 1.346 . . . . 73.02 112.471 -168.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.409 ' H ' HG23 ' A' ' 16' ' ' THR . 68.5 p -71.36 -56.29 6.27 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.598 -0.89 . . . . 64.04 108.598 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mt -54.16 -42.68 57.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 125.766 1.627 . . . . 71.33 108.857 175.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.88 -21.47 64.73 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 117.503 -1.236 . . . . 74.2 113.712 -178.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -113.11 13.97 23.76 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 119.763 1.165 . . . . 74.42 113.444 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -144.51 -21.62 0.53 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 118.601 1.2 . . . . 74.12 113.386 -178.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 tp -94.06 14.56 19.49 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.957 0.799 . . . . 71.43 109.392 168.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.94 52.42 2.26 Favored Pre-proline 0 CA--C 1.544 0.714 0 N-CA-C 113.41 0.893 . . . . 75.32 113.41 -173.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -73.8 -32.46 7.36 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 121.934 1.756 . . . . 73.42 111.259 165.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -109.18 -34.54 6.55 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 119.125 0.875 . . . . 75.41 112.892 -168.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.35 141.78 33.82 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.689 -1.226 . . . . 75.41 107.689 173.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.6 t -117.18 98.78 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 N-CA-C 106.126 -1.805 . . . . 71.24 106.126 -174.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.4 mt -75.51 178.5 5.92 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.007 1.323 . . . . 74.01 110.074 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 t -124.59 171.94 9.63 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 122.141 0.972 . . . . 74.2 110.961 169.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.5 m -68.91 -24.44 64.3 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.971 1.309 . . . . 71.23 113.324 -169.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.6 t -80.39 -25.77 38.91 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.656 1.117 . . . . 73.13 110.573 172.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -69.98 -47.99 60.01 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 119.3 0.955 . . . . 72.32 108.813 176.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.0 t -75.21 143.65 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 121.768 0.794 . . . . 71.31 110.056 -177.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -129.05 112.35 13.92 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 106.946 -1.501 . . . . 74.21 106.946 168.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.2 t -110.1 100.23 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 104.793 -2.299 . . . . 74.42 104.793 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.1 mt -74.42 128.29 36.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 N-CA-C 106.344 -1.724 . . . . 61.22 106.344 177.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -89.1 155.51 19.4 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 123.108 0.563 . . . . 73.13 110.131 172.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -30.07 56.72 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.327 1.451 . . . . 71.3 111.771 174.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.1 mttp 73.84 -20.93 0.28 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 127.376 2.27 . . . . 75.42 113.914 163.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.1 -65.87 0.64 Allowed 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 107.796 -1.187 . . . . 71.2 107.796 157.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.4 ' C ' ' H ' ' A' ' 45' ' ' LEU . 40.6 p -92.12 12.7 21.23 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.971 0.805 . . . . 64.13 112.138 -172.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 58.73 -13.73 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 127.955 2.502 . . . . 61.2 115.716 -171.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.4 ' H ' ' C ' ' A' ' 43' ' ' THR . 68.4 mt -59.5 168.92 1.41 Allowed 'General case' 0 C--O 1.231 0.11 0 C-N-CA 125.271 1.428 . . . . 63.43 111.1 -177.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -74.38 179.21 4.71 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.878 -0.415 . . . . 73.33 109.878 169.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -89.55 -14.07 35.94 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.692 0.997 . . . . 74.31 113.692 170.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.86 12.71 49.18 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 125.156 1.36 . . . . 74.32 114.153 174.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -142.45 161.93 36.77 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 127.554 2.341 . . . . 75.24 107.004 170.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -143.56 175.18 10.14 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.011 0.924 . . . . 75.43 108.513 177.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.5 ' HB3' HE22 ' A' ' 53' ' ' GLN . 48.4 m-85 -137.12 164.58 28.11 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.267 1.427 . . . . 73.21 108.204 -175.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.9 mt -137.96 125.76 30.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 128.37 2.668 . . . . 73.32 105.898 175.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.5 HE22 ' HB3' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -116.65 100.69 8.0 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 106.889 -1.523 . . . . 75.43 106.889 179.72 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 mt -118.24 -174.77 2.73 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.47 1.508 . . . . 75.24 109.699 -176.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.42 161.02 20.74 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.795 -0.566 . . . . 73.22 109.594 163.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.0 p -54.96 -61.29 2.4 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.143 0.577 . . . . 64.04 109.84 174.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.6 mm -53.82 -58.7 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 125.544 1.538 . . . . 75.05 110.536 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.1 -46.73 85.03 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 109.894 -0.41 . . . . 63.25 109.894 -170.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.24 -55.2 37.86 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 123.772 0.829 . . . . 73.25 110.295 178.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.88 -49.55 75.16 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.721 1.209 . . . . 62.02 110.341 -175.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -55.22 -56.2 22.67 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 125.837 1.655 . . . . 74.32 110.85 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.2 -41.87 89.57 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.565 0.746 . . . . 71.24 110.692 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.09 -36.72 80.43 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.675 -0.641 . . . . 75.12 110.201 -178.322 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.52 -42.07 95.68 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.431 0.56 . . . . 73.32 110.449 176.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 69.4 mt -59.22 -52.93 54.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 N-CA-C 108.213 -1.032 . . . . 73.45 108.213 177.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.3 mt -52.82 -22.75 5.77 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 125.143 1.377 . . . . 75.43 114.41 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -105.14 14.64 28.83 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.232 0.924 . . . . 73.33 112.389 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -127.01 -33.74 2.41 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.935 1.294 . . . . 75.04 113.83 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.75 -166.71 1.66 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.421 2.288 . . . . 75.31 114.533 -170.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -67.34 152.99 95.6 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 125.473 1.509 . . . . 75.3 113.072 170.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -66.99 165.64 25.57 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 124.003 3.136 . . . . 63.12 113.432 -176.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -71.36 139.69 35.35 Favored 'Trans proline' 0 N--CA 1.449 -1.091 0 C-N-CA 121.912 1.741 . . . . 73.31 112.947 -176.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.96 123.9 21.88 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 125.655 1.582 . . . . 73.31 108.047 171.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.63 145.85 31.47 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 124.548 1.139 . . . . 61.24 109.8 175.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -128.28 19.34 2.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 124.797 1.239 . . . . 75.02 109.649 -172.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -173.01 31.07 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.554 1.542 . . . . 72.2 110.7 172.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.18 15.67 65.71 Favored Glycine 0 CA--C 1.535 1.325 0 O-C-N 120.613 -1.304 . . . . 73.0 114.752 -173.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.24 105.35 14.0 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 126.305 1.842 . . . . 75.12 109.049 173.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 58.5 m -69.91 115.01 8.64 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 118.83 -1.148 . . . . 74.42 109.286 168.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.7 mm -63.68 158.26 3.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 126.135 1.774 . . . . 75.13 110.166 -178.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -110.76 161.05 16.17 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 126.269 1.828 . . . . 75.0 109.403 172.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.7 t -122.2 138.44 52.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 106.968 -1.493 . . . . 73.12 106.968 173.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -132.87 163.22 29.59 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 125.506 1.523 . . . . 63.42 109.199 167.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -123.19 110.51 15.34 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.777 -1.194 . . . . 74.41 107.777 -178.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -112.72 71.12 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 107.375 -1.343 . . . . 74.2 107.375 175.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.441 ' HE2' ' OD2' ' A' ' 4' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 107.897 -1.149 . . . . 75.13 107.897 167.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 N--CA 1.448 -0.536 0 CA-C-O 123.487 1.613 . . . . 74.02 109.656 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.9 m -115.46 150.68 36.08 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 112.724 -2.035 . . . . 74.41 106.31 -175.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.0 mt -112.81 133.98 56.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 104.31 -2.478 . . . . 73.15 104.31 166.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.2 mt -107.56 140.73 24.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 105.748 -1.945 . . . . 72.22 105.748 174.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -114.11 154.35 27.92 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.436 -0.95 . . . . 63.4 108.436 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -133.41 178.3 7.02 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.135 0.974 . . . . 75.22 110.3 172.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 40.6 t30 54.48 50.04 17.0 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 125.71 1.604 . . . . 75.14 111.187 175.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.5 mt -86.22 121.7 29.18 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 105.651 -1.981 . . . . 74.41 105.651 169.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -57.11 152.04 31.95 Favored Pre-proline 0 C--O 1.235 0.33 0 N-CA-C 109.158 -0.682 . . . . 74.11 109.158 169.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.37 -37.04 32.4 Favored 'Trans proline' 0 N--CA 1.446 -1.284 0 C-N-CA 121.784 1.656 . . . . 75.4 110.901 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -92.01 13.89 17.41 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.165 0.586 . . . . 73.02 112.024 -177.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.5 m -93.75 165.47 12.68 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 120.55 -1.343 . . . . 74.31 109.117 162.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 p -135.09 -178.12 4.95 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 125.811 1.645 . . . . 73.2 106.865 144.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 ptm -50.52 -34.17 24.31 Favored 'General case' 0 C--O 1.217 -0.616 0 C-N-CA 126.321 1.849 . . . . 71.21 111.11 167.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.05 -28.32 66.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 118.514 0.597 . . . . 74.2 111.685 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 m -111.15 24.17 13.21 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 123.848 0.859 . . . . 74.44 112.126 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.44 ' CD1' ' HZ3' ' A' ' 78' ' ' LYS . 52.7 mt -132.32 -34.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.07 0 C-N-CA 123.968 0.907 . . . . 75.44 109.427 173.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.9 mt -51.81 -46.38 64.26 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 122.916 0.486 . . . . 73.4 109.911 169.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.96 14.96 5.52 Favored Glycine 0 CA--C 1.534 1.226 0 CA-C-O 118.384 -1.231 . . . . 64.4 115.367 -173.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -150.65 -40.49 0.13 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 119.952 1.876 . . . . 73.01 111.202 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.64 21.71 4.54 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.087 1.355 . . . . 75.02 111.375 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.54 53.67 0.71 Allowed Pre-proline 0 CA--C 1.547 0.828 0 CA-C-N 119.541 1.064 . . . . 74.01 112.388 171.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -76.06 -14.43 18.91 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 122.95 2.434 . . . . 71.01 111.756 169.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -124.41 -79.6 0.61 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.509 1.524 . . . . 63.04 107.337 -176.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.92 106.02 14.4 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 123.637 0.775 . . . . 72.32 109.676 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.1 t -87.0 86.5 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 105.94 -1.874 . . . . 74.42 105.94 169.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.4 mt -66.4 154.22 40.71 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.029 0.532 . . . . 72.24 109.857 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.63 23.45 0.42 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.099 1.36 . . . . 71.25 112.056 -173.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.7 t 55.29 -60.41 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.057 2.143 . . . . 73.22 112.802 -162.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.4 t -54.03 -24.54 17.41 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.287 2.235 . . . . 70.24 113.872 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -52.39 -31.26 33.16 Favored 'General case' 0 C--N 1.341 0.235 0 O-C-N 121.008 -1.057 . . . . 74.41 111.249 169.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.6 t -101.55 143.57 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 C-N-CA 124.973 1.309 . . . . 74.24 110.149 -164.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.66 94.28 3.82 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 126.167 1.787 . . . . 73.31 108.554 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.2 t -95.02 106.37 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 105.258 -2.127 . . . . 75.24 105.258 164.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.0 mt -76.69 152.05 5.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 107.355 -1.35 . . . . 75.13 107.355 172.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -129.13 143.98 51.05 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.828 0.851 . . . . 74.41 111.365 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -61.26 150.92 33.23 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.418 -0.355 . . . . 74.41 110.916 175.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -95.68 13.91 24.82 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.773 1.027 . . . . 72.43 113.773 176.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -124.08 -50.56 1.8 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 119.27 0.941 . . . . 74.13 109.149 -177.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.509 HG22 ' H ' ' A' ' 45' ' ' LEU . 15.3 t -92.38 -14.09 29.17 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.805 0.729 . . . . 55.53 110.783 178.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 71.74 -12.66 0.63 Allowed 'General case' 0 C--N 1.342 0.273 0 CA-C-O 116.731 -1.604 . . . . 74.41 114.269 -169.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.509 ' H ' HG22 ' A' ' 43' ' ' THR . 41.4 mt -62.64 174.45 1.01 Allowed 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 120.012 1.278 . . . . 74.21 110.642 -177.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -69.63 -165.73 0.09 Allowed 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 125.205 1.402 . . . . 75.13 109.977 170.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -108.12 -12.76 15.06 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.972 1.709 . . . . 71.23 112.389 168.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.93 14.17 58.19 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 123.808 0.718 . . . . 75.03 113.414 176.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -147.82 167.53 24.52 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 126.075 1.75 . . . . 74.12 106.709 169.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -149.3 178.25 8.93 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 123.92 0.888 . . . . 63.42 109.341 174.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -130.01 158.18 40.29 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.001 1.72 . . . . 74.22 107.542 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 58.3 mt -131.57 130.05 62.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 127.228 2.211 . . . . 75.33 105.417 170.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.17 124.93 52.45 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 106.393 -1.706 . . . . 71.02 106.393 172.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.03 -179.82 5.56 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 126.033 1.733 . . . . 74.03 108.616 179.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.46 151.05 13.94 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.715 -0.846 . . . . 71.33 108.715 160.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.3 m -44.87 -63.19 0.97 Allowed 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 126.388 1.875 . . . . 72.13 110.271 172.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 45.7 mt -65.48 -48.05 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 N-CA-C 108.864 -0.791 . . . . 74.01 108.864 -174.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -64.18 -42.48 96.67 Favored 'General case' 0 C--N 1.331 -0.197 0 O-C-N 121.825 -0.547 . . . . 71.42 111.688 -166.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.46 -53.22 24.21 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.168 0.987 . . . . 71.22 110.17 178.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.1 -45.78 91.97 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.921 0.889 . . . . 72.41 110.795 -178.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -59.13 -58.33 9.1 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 118.777 0.717 . . . . 73.02 110.627 -177.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.23 -45.07 92.11 Favored 'General case' 0 CA--C 1.518 -0.257 0 O-C-N 123.389 0.431 . . . . 71.22 110.196 -174.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.13 -46.25 65.3 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 119.709 -0.186 . . . . 74.04 111.291 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -62.41 -31.33 71.99 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 119.002 -0.523 . . . . 75.31 112.24 -176.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 68.6 mt -59.21 -59.24 4.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 C-N-CA 125.015 1.326 . . . . 73.34 108.358 179.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -48.87 -43.23 38.71 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.336 1.054 . . . . 73.03 110.745 173.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -78.3 18.26 0.56 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.07 1.348 . . . . 75.32 113.86 -177.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.4 -34.42 1.39 Allowed 'General case' 0 C--O 1.234 0.281 0 C-N-CA 124.094 0.958 . . . . 73.43 112.515 168.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 pp -75.84 -166.77 0.61 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.245 1.018 . . . . 75.02 111.541 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -53.99 165.15 0.82 Allowed Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 124.717 1.207 . . . . 74.02 112.875 173.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -65.6 167.54 16.9 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 122.716 2.277 . . . . 55.25 112.182 171.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -66.04 147.01 83.88 Favored 'Trans proline' 0 N--CA 1.455 -0.752 0 C-N-CA 122.696 2.264 . . . . 74.22 112.333 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.91 125.47 29.4 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 127.473 2.309 . . . . 64.04 109.058 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.7 t -84.65 154.96 22.21 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.494 1.117 . . . . 75.34 109.419 177.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.44 13.98 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 C-N-CA 124.408 1.083 . . . . 75.4 111.621 -173.179 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.7 18.58 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.614 1.566 . . . . 71.41 109.811 177.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.8 30.31 63.93 Favored Glycine 0 C--N 1.344 1.02 0 C-N-CA 124.636 1.113 . . . . 75.34 113.677 -173.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.44 ' HZ3' ' CD1' ' A' ' 20' ' ' ILE . 0.0 OUTLIER -126.92 98.33 5.3 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 126.807 2.043 . . . . 75.2 109.117 178.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 m -69.78 117.87 11.93 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 107.553 -1.277 . . . . 75.34 107.553 175.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 30.1 mm -61.01 153.98 4.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 123.988 0.915 . . . . 75.04 108.766 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.01 159.88 18.68 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.036 0.935 . . . . 75.31 109.067 166.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.6 t -133.47 137.42 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 125.431 1.492 . . . . 75.15 108.205 -176.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -125.75 149.98 48.1 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.599 -0.889 . . . . 75.33 108.599 158.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -77.37 150.06 35.15 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 105.907 -1.886 . . . . 75.13 105.907 153.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -133.16 74.57 1.57 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 106.759 -1.571 . . . . 75.05 106.759 170.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.4 tptm . . . . . 0 N--CA 1.443 -0.822 0 CA-C-N 113.645 -1.616 . . . . 75.04 107.301 175.316 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 N--CA 1.448 -0.532 0 CA-C-O 122.638 1.209 . . . . 73.14 110.833 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.8 m -146.13 128.66 16.03 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 125.186 1.395 . . . . 62.3 107.945 172.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 55.3 mt -88.6 124.5 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 104.897 -2.26 . . . . 74.0 104.897 167.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.3 mt -92.37 145.55 7.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 106.942 -1.503 . . . . 73.14 106.942 172.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.0 mt -111.93 156.45 22.06 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 108.546 -0.909 . . . . 74.32 108.546 163.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -144.04 168.92 18.85 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 127.094 2.157 . . . . 63.01 108.634 -175.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.6 t30 59.24 30.95 20.79 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.806 1.242 . . . . 63.24 111.652 -176.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.75 119.52 14.1 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 105.613 -1.995 . . . . 74.33 105.613 167.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -68.51 154.22 94.7 Favored Pre-proline 0 C--O 1.234 0.244 0 N-CA-C 106.994 -1.484 . . . . 70.31 106.994 170.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -74.71 -14.93 21.77 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 122.627 2.218 . . . . 74.25 112.953 -172.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -78.26 -22.14 48.78 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.208 0.603 . . . . 73.32 111.766 -176.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.5 m -82.59 168.81 16.97 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.941 -0.763 . . . . 72.21 108.941 165.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.2 t -125.64 -74.17 0.61 Allowed 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 106.128 -1.804 . . . . 64.32 106.128 173.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.8 ptt? -153.8 -48.0 0.09 Allowed 'General case' 0 CA--C 1.512 -0.518 0 C-N-CA 124.098 0.959 . . . . 74.32 109.323 178.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.97 -28.41 68.98 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.827 0.851 . . . . 71.15 112.292 -177.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 m -59.68 -35.5 74.59 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.55 1.14 . . . . 63.34 111.326 174.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.2 mp -93.4 -35.44 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.03 1.332 . . . . 73.31 108.718 -176.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.1 mt -59.44 -36.84 76.68 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-O 118.523 -0.751 . . . . 74.23 111.039 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.57 14.94 64.16 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-O 117.481 -1.733 . . . . 72.42 113.927 -178.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.16 -34.2 0.43 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.44 1.62 . . . . 74.12 113.758 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 tp -93.95 14.74 18.71 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.221 1.408 . . . . 73.25 111.254 -176.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.71 53.47 0.93 Allowed Pre-proline 0 CA--C 1.544 0.728 0 N-CA-C 114.752 1.39 . . . . 73.52 114.752 -170.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -70.41 -24.49 26.65 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 121.908 1.738 . . . . 72.44 112.909 169.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -124.9 -24.48 4.08 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 120.262 1.392 . . . . 70.44 113.784 -174.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.83 108.28 5.56 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 108.24 -1.022 . . . . 73.14 108.24 170.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.1 t -80.05 120.84 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 N-CA-C 106.283 -1.747 . . . . 64.31 106.283 160.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -97.2 -178.73 4.28 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.07 0.948 . . . . 70.54 111.03 169.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.0 m -110.47 160.35 16.68 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.39 1.476 . . . . 70.53 109.624 163.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.1 p -62.94 -24.66 67.97 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 121.179 -0.95 . . . . 73.43 111.614 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.5 p -56.02 -46.1 78.92 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.829 0.851 . . . . 71.53 110.964 170.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -83.89 -26.26 29.55 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 125.031 1.333 . . . . 70.21 109.768 -170.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.4 t -91.47 87.89 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 C-N-CA 124.6 1.16 . . . . 74.54 109.532 172.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.72 115.39 4.72 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.007 -0.997 . . . . 63.3 108.32 169.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.6 t -117.04 131.66 69.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 125.196 1.398 . . . . 72.14 108.679 162.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.0 mt -87.9 130.24 37.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 105.429 -2.063 . . . . 74.02 105.429 163.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.42 147.46 35.19 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 108.45 -0.944 . . . . 72.34 108.45 168.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -65.74 161.06 21.58 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.465 1.106 . . . . 73.13 110.576 171.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.9 ttmt -115.02 14.68 17.19 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 120.422 -1.423 . . . . 74.23 113.025 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -130.35 -42.29 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 126.359 1.864 . . . . 73.23 110.198 -172.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.5 t -102.39 -14.4 16.91 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.489 1.115 . . . . 71.34 109.288 173.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 73.11 -13.73 0.67 Allowed 'General case' 0 C--O 1.234 0.271 0 C-N-CA 127.187 2.195 . . . . 73.55 114.178 -170.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.8 mt -60.36 178.07 0.23 Allowed 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.181 1.355 . . . . 74.52 113.276 -170.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -95.0 164.73 12.77 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 120.349 -1.469 . . . . 73.43 109.192 169.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -78.55 -14.04 59.54 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.04 1.126 . . . . 74.11 114.04 -173.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.77 14.14 25.9 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 125.969 1.747 . . . . 73.03 113.832 -178.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -151.74 172.79 15.57 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 121.091 -1.24 . . . . 73.31 109.215 178.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -153.11 168.67 25.15 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.333 1.453 . . . . 73.02 108.693 170.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -131.2 120.24 22.99 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 124.846 1.259 . . . . 72.21 107.96 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.0 mt -91.97 118.11 36.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 126.853 2.061 . . . . 63.1 107.085 174.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.31 129.79 42.32 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.466 1.507 . . . . 71.33 107.195 173.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.9 mt -135.89 -154.86 0.59 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.025 1.73 . . . . 73.3 108.213 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 t -98.08 163.85 12.58 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.082 1.353 . . . . 71.3 108.544 173.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 58.3 p -61.74 -14.94 36.74 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.264 1.826 . . . . 74.24 115.22 -172.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.3 mt -118.02 -43.67 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 125.713 1.605 . . . . 74.43 108.5 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -56.62 -47.64 79.22 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 124.391 1.076 . . . . 74.21 110.09 -175.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.72 -53.05 43.66 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.463 0.574 . . . . 72.42 110.668 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.34 -51.44 68.81 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.109 0.963 . . . . 74.14 111.112 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -61.51 -49.83 75.17 Favored 'General case' 0 C--O 1.231 0.106 0 O-C-N 121.563 -0.711 . . . . 74.23 111.056 -175.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -44.47 96.21 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.49 1.116 . . . . 73.12 109.814 -177.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.9 tp -52.73 -46.52 67.46 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 109.989 -0.374 . . . . 73.21 109.989 178.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -62.62 -27.87 69.51 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 113.578 0.955 . . . . 65.24 113.578 -176.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 63.9 mt -61.51 -62.15 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 107.486 -1.301 . . . . 71.04 107.486 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -57.24 -30.34 64.54 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 118.759 0.709 . . . . 72.41 112.696 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -75.9 -25.99 56.58 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 121.682 -0.637 . . . . 72.14 112.397 176.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.19 -29.58 28.44 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 112.618 0.599 . . . . 73.03 112.618 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 pp -93.13 -163.43 1.05 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.039 1.336 . . . . 64.24 110.95 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -57.51 159.11 9.67 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 123.787 0.835 . . . . 73.22 111.586 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -63.34 167.49 12.82 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.414 2.743 . . . . 72.45 112.556 176.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -62.9 158.49 42.7 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.573 2.848 . . . . 73.42 111.966 -178.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.09 179.95 4.71 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 123.103 1.43 . . . . 74.44 111.707 175.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.58 152.72 50.56 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 126.833 2.053 . . . . 70.23 106.44 171.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -133.05 14.52 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 124.754 1.222 . . . . 74.33 110.327 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.415 ' HB2' ' HZ1' ' A' ' 78' ' ' LYS . 0.7 OUTLIER -173.94 28.0 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.918 0 O-C-N 120.927 -1.108 . . . . 65.34 111.16 -175.507 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.43 21.21 77.44 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-O 118.016 -1.435 . . . . 45.31 114.051 -173.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.415 ' HZ1' ' HB2' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -116.86 109.86 17.62 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 120.468 2.134 . . . . 64.22 108.619 174.544 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 m -66.91 115.03 6.21 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 121.044 1.747 . . . . 72.04 107.53 170.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.3 mm -56.07 142.78 10.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 108.392 -0.966 . . . . 74.35 108.392 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.17 152.28 18.7 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 106.47 -1.678 . . . . 72.31 106.47 166.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.9 t -123.65 144.2 34.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 106.661 -1.607 . . . . 72.24 106.661 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -141.57 167.65 21.66 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 125.613 1.565 . . . . 64.22 108.996 173.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -126.85 95.34 4.29 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 124.734 1.214 . . . . 72.03 110.071 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.88 79.5 6.4 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 122.481 1.134 . . . . 64.02 108.437 169.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.5 tptm . . . . . 0 N--CA 1.445 -0.681 0 C-N-CA 124.594 1.158 . . . . 74.22 108.445 172.531 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 N--CA 1.448 -0.551 0 CA-C-O 123.481 1.61 . . . . 73.02 112.279 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.1 m -144.72 143.07 30.52 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 106.201 -1.778 . . . . 75.02 106.201 170.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.4 mt -115.24 121.19 66.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 N-CA-C 103.787 -2.672 . . . . 74.12 103.787 174.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.2 mt -98.32 147.11 7.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 N-CA-C 105.642 -1.984 . . . . 64.02 105.642 177.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mp -112.77 150.31 31.78 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 125.061 1.344 . . . . 60.42 107.379 173.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -134.14 170.28 15.91 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.377 1.071 . . . . 75.42 109.161 -177.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.7 t30 67.3 17.22 10.21 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 126.287 1.835 . . . . 70.14 112.17 178.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.45 133.4 52.42 Favored 'General case' 0 N--CA 1.446 -0.652 0 O-C-N 119.727 -1.858 . . . . 74.43 106.95 171.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -69.16 157.37 89.47 Favored Pre-proline 0 N--CA 1.443 -0.816 0 C-N-CA 124.567 1.147 . . . . 75.11 109.235 169.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -59.78 -35.37 94.53 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.87 2.38 . . . . 75.11 111.239 176.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -77.03 -14.11 59.87 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.535 1.134 . . . . 65.31 113.346 -178.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.93 158.31 4.97 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 119.923 1.238 . . . . 74.25 109.698 -178.129 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.0 t -144.55 154.76 43.2 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 106.777 -1.564 . . . . 71.41 106.777 167.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.4 ptp -65.71 -29.23 69.74 Favored 'General case' 0 C--O 1.211 -0.933 0 C-N-CA 124.162 0.985 . . . . 73.55 109.451 -172.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -70.48 -33.2 70.97 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.583 0.706 . . . . 74.24 109.99 -178.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.8 t -78.78 -47.97 15.71 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.225 1.41 . . . . 43.32 108.66 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mt -55.15 -45.85 77.4 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 N-CA-C 109.166 -0.679 . . . . 72.14 109.166 171.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.2 mt -61.45 -20.35 63.03 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.189 0.904 . . . . 74.52 112.888 177.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.57 -15.07 57.5 Favored Glycine 0 CA--C 1.527 0.798 0 CA-C-N 119.195 0.907 . . . . 73.43 113.968 -178.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -142.6 12.98 1.93 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 119.143 1.471 . . . . 71.11 113.716 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.4 tp -129.11 29.26 5.19 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.763 1.225 . . . . 74.41 109.187 170.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.95 52.66 0.71 Allowed Pre-proline 0 CA--C 1.557 1.226 0 C-N-CA 124.421 1.088 . . . . 70.53 113.035 176.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -77.7 -21.51 11.21 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.953 2.435 . . . . 74.25 114.563 173.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.41 ' HH ' ' CD2' ' A' ' 70' ' ' HIS . 1.7 m-85 -134.59 -58.12 0.83 Allowed 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.928 1.24 . . . . 74.03 109.685 -174.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.86 149.96 27.62 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.011 0.924 . . . . 74.24 109.453 176.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 t -144.2 101.68 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 106.461 -1.681 . . . . 75.25 106.461 -173.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -72.74 163.4 28.16 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 112.429 0.529 . . . . 73.52 112.429 -172.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.9 m -90.18 33.0 0.89 Allowed 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.363 1.465 . . . . 72.54 112.511 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.61 -61.95 0.39 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.851 1.66 . . . . 71.32 112.215 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 t -56.6 -34.71 67.48 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.628 1.558 . . . . 73.41 112.037 -177.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -52.92 -24.56 9.52 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.337 1.055 . . . . 74.52 112.908 177.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.6 t -98.9 133.54 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-O 122.035 0.921 . . . . 75.53 109.138 -173.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.09 86.89 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 126.577 1.951 . . . . 63.43 107.386 173.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.1 t -85.28 102.4 11.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 N-CA-C 104.852 -2.277 . . . . 73.41 104.852 161.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.4 mt -75.39 131.02 35.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 105.85 -1.907 . . . . 74.12 105.85 169.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.67 160.41 22.57 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.092 1.357 . . . . 75.45 110.457 169.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -79.02 158.53 27.89 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 112.039 0.385 . . . . 71.52 112.039 -169.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -30.53 65.41 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 114.764 1.394 . . . . 75.34 114.764 176.009 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -102.01 -52.72 3.1 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 108.489 -0.93 . . . . 75.14 108.489 -176.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.9 p -78.97 -17.97 54.51 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 120.618 -0.433 . . . . 61.42 111.1 -168.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 57.32 14.77 2.29 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.298 1.839 . . . . 75.42 112.579 -167.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.9 mt -96.67 150.05 21.11 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 123.467 0.707 . . . . 74.54 109.115 -177.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -62.19 163.28 8.41 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 123.148 0.579 . . . . 62.33 110.923 -177.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -84.73 14.51 4.64 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.017 -1.052 . . . . 75.11 112.59 171.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.36 12.74 64.03 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 126.277 1.894 . . . . 55.14 115.956 173.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -141.84 163.0 34.08 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 126.117 1.767 . . . . 71.42 107.363 163.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -145.06 165.81 27.16 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.069 -1.086 . . . . 64.11 108.069 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -132.14 129.68 40.16 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.714 -1.587 . . . . 74.42 106.714 -170.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.3 mt -97.72 131.41 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 106.038 -1.838 . . . . 72.55 106.038 171.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -108.68 99.86 9.17 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 105.033 -2.21 . . . . 75.51 105.033 174.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.6 mt -120.07 171.66 8.3 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 124.313 1.045 . . . . 75.43 108.566 173.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 m -72.07 166.67 21.81 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 127.076 2.151 . . . . 74.44 111.727 -172.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.3 m -61.95 -32.98 73.45 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.968 0.907 . . . . 60.11 111.659 -174.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 58.9 mt -82.09 -53.94 10.82 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.156 0 O-C-N 121.532 -0.73 . . . . 75.34 109.127 170.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -65.18 -45.3 85.4 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 122.591 0.357 . . . . 71.13 111.288 -160.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.5 -48.7 79.88 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.385 -0.598 . . . . 75.44 109.385 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.72 -53.39 58.32 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.673 0.789 . . . . 75.32 111.139 179.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -58.98 -58.68 7.6 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 123.577 0.751 . . . . 71.11 109.899 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -52.01 -53.39 42.33 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.995 0.918 . . . . 75.23 109.15 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -51.81 -51.34 57.21 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 118.429 0.559 . . . . 75.24 110.176 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -61.09 -37.24 82.02 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 120.135 -0.626 . . . . 74.03 109.703 -171.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 57.6 mt -55.4 -53.68 33.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.76 1.224 . . . . 74.42 109.62 173.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -58.42 -26.95 63.84 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.653 1.115 . . . . 74.41 112.728 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -85.46 13.1 7.18 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.099 0.96 . . . . 70.45 112.612 -175.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -141.65 14.5 2.14 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.339 0.656 . . . . 71.01 112.246 -174.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 pp -142.99 -178.6 5.91 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.659 1.184 . . . . 72.42 112.274 -167.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.41 ' CD2' ' HH ' ' A' ' 27' ' ' TYR . 11.3 p-80 -64.21 145.28 98.21 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 126.289 1.836 . . . . 73.43 112.877 -175.06 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -67.67 162.94 37.1 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 122.88 2.387 . . . . 70.25 113.443 -167.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -68.16 151.66 76.85 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.718 2.278 . . . . 72.53 112.027 -173.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -87.95 134.48 33.71 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.672 1.989 . . . . 74.45 107.239 175.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.8 t -83.9 161.33 20.89 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.069 -1.019 . . . . 74.51 110.856 -176.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -132.49 13.56 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 123.851 0.86 . . . . 73.31 110.949 -179.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -171.68 41.07 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 107.443 -1.317 . . . . 72.23 107.443 171.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.66 -13.72 1.6 Allowed Glycine 0 CA--C 1.534 1.272 0 O-C-N 120.269 -1.519 . . . . 71.45 115.058 -177.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.54 108.35 17.26 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 119.841 1.821 . . . . 73.33 111.28 178.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.93 128.64 37.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 121.009 1.732 . . . . 70.24 109.845 177.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.4 mm -66.83 165.2 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 124.119 0.968 . . . . 74.11 109.387 -177.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -130.06 158.18 40.32 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 126.078 1.751 . . . . 71.33 108.251 170.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.2 t -124.36 151.97 29.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 125.787 1.635 . . . . 72.33 108.026 -175.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -151.68 175.35 12.47 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.573 1.949 . . . . 74.04 110.571 168.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -134.21 89.05 2.52 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 125.847 1.659 . . . . 71.24 107.114 -173.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.61 64.32 8.45 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 107.471 -1.307 . . . . 74.42 107.471 174.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.209 0 N-CA-C 106.484 -1.673 . . . . 75.01 106.484 177.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.452 0 N-CA-C 107.792 -1.188 . . . . 62.21 107.792 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.4 m -133.03 140.63 47.83 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 125.791 1.637 . . . . 73.42 107.15 172.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 55.5 mt -104.96 136.94 36.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 N-CA-C 105.237 -2.134 . . . . 75.23 105.237 163.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.6 mp -110.63 157.53 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 106.855 -1.535 . . . . 73.32 106.855 168.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.84 153.01 46.22 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.01 1.324 . . . . 73.53 107.512 176.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -132.3 163.96 27.5 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.375 -0.602 . . . . 62.12 109.375 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 62.6 t30 67.1 42.33 2.38 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.262 1.425 . . . . 72.31 111.911 177.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.75 112.04 18.55 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 106.978 -1.489 . . . . 75.33 106.978 174.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.422 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 1.6 m-20 -53.17 153.41 6.67 Favored Pre-proline 0 N--CA 1.471 0.586 0 N-CA-C 108.998 -0.741 . . . . 75.35 108.998 174.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -58.08 -38.12 92.94 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.843 2.362 . . . . 73.41 110.929 175.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -62.0 -13.7 28.23 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.845 2.058 . . . . 74.15 115.51 175.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.0 m -84.14 166.33 17.71 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 120.205 1.366 . . . . 60.34 110.326 176.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 t -147.29 -74.69 0.2 Allowed 'General case' 0 C--O 1.233 0.19 0 O-C-N 121.507 -0.746 . . . . 73.52 109.101 173.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.4 ttp -160.67 -57.22 0.05 Allowed 'General case' 0 CA--C 1.508 -0.666 0 C-N-CA 126.181 1.793 . . . . 72.33 108.596 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -56.59 -35.92 68.79 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.541 -0.754 . . . . 62.41 110.398 -176.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.3 m -83.18 23.19 0.9 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 123.229 1.49 . . . . 65.53 114.801 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 54.9 mt -135.11 -47.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 C-N-CA 128.336 2.654 . . . . 74.13 106.967 177.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.5 mt -65.72 -15.64 63.01 Favored 'General case' 0 C--O 1.226 -0.163 0 N-CA-C 114.628 1.344 . . . . 74.21 114.628 -174.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -88.08 -13.94 63.34 Favored Glycine 0 CA--C 1.531 1.034 0 CA-C-O 119.0 -0.889 . . . . 63.44 113.68 171.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.47 -16.17 2.1 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 114.732 1.382 . . . . 74.42 114.732 -161.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.5 tp -113.21 22.47 14.26 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.566 1.946 . . . . 74.53 109.33 174.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -123.61 55.18 8.24 Favored Pre-proline 0 CA--C 1.543 0.675 0 C-N-CA 125.764 1.626 . . . . 71.14 111.99 -174.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -69.15 -48.54 0.82 Allowed 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 121.997 1.798 . . . . 74.21 110.825 170.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -104.43 -24.23 13.08 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.963 1.705 . . . . 61.42 113.607 -177.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -137.3 102.07 4.7 Favored 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 123.295 0.638 . . . . 74.13 110.635 -178.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.1 t -69.9 129.12 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 N-CA-C 105.582 -2.007 . . . . 71.41 105.582 151.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.7 mt -98.4 161.31 13.75 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.672 -1.233 . . . . 75.21 107.672 165.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.3 m -72.01 -69.38 0.4 Allowed 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 108.547 -0.908 . . . . 75.15 108.547 -172.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.4 m 174.92 -46.59 0.01 OUTLIER 'General case' 0 C--O 1.227 -0.103 0 C-N-CA 130.042 3.337 . . . . 74.15 107.187 168.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.5 p -61.64 -24.24 66.59 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.886 0.767 . . . . 75.32 112.449 -177.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -53.02 -34.29 55.69 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 125.486 1.514 . . . . 71.51 112.321 171.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.4 t -97.4 109.47 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 123.68 0.792 . . . . 72.51 108.946 -166.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.57 123.65 38.13 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 107.934 -1.136 . . . . 74.11 107.934 170.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 t -128.43 111.42 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 106.447 -1.686 . . . . 72.13 106.447 169.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.3 mt -64.41 116.1 3.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 106.264 -1.754 . . . . 73.23 106.264 174.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.82 147.64 26.63 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.9 -1.148 . . . . 74.44 107.9 170.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.65 164.75 9.2 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.605 0.595 . . . . 74.25 112.605 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -79.68 -52.29 8.14 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 121.4 -0.813 . . . . 73.32 110.828 170.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.81 -50.43 7.14 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 109.252 -0.647 . . . . 73.55 109.252 -175.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.7 p -81.46 -16.7 51.18 Favored 'General case' 0 C--N 1.334 -0.079 0 C-N-CA 119.444 -0.902 . . . . 74.11 110.995 -166.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 66.04 14.63 9.71 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 127.307 2.243 . . . . 62.35 113.375 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.9 mt -111.65 158.27 19.46 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 120.083 1.31 . . . . 73.43 111.439 -172.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -60.67 156.9 15.7 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.585 0.754 . . . . 71.55 109.675 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -82.3 16.04 2.19 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.977 0.732 . . . . 64.34 112.977 173.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.93 13.08 82.84 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 125.445 1.498 . . . . 73.12 114.799 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -147.55 162.27 39.42 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 125.438 1.495 . . . . 72.11 108.551 171.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -148.92 171.3 16.55 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 126.059 1.744 . . . . 74.43 109.176 -175.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -141.59 153.98 45.14 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.317 1.447 . . . . 74.25 108.809 -172.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.9 mt -130.52 130.39 64.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 C-N-CA 127.716 2.407 . . . . 75.31 108.566 175.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.76 121.63 45.66 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 126.373 1.869 . . . . 72.25 107.37 177.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.1 mt -137.81 179.39 6.46 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 126.548 1.939 . . . . 73.34 108.994 -177.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.5 t -65.87 165.88 12.2 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.716 0.807 . . . . 75.42 110.435 170.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 59.9 m -54.35 -24.62 20.16 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 131.458 3.903 . . . . 74.41 116.167 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.4 mm -119.33 -31.52 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 124.424 1.09 . . . . 75.03 109.911 -173.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -66.53 -49.9 64.96 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 125.026 1.331 . . . . 64.31 110.686 -174.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.32 -45.75 90.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.575 -0.726 . . . . 75.54 109.242 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.78 -64.86 0.73 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.784 0.834 . . . . 74.02 110.484 174.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -51.34 -53.45 36.0 Favored 'General case' 0 N--CA 1.461 0.1 0 CA-C-N 118.76 0.709 . . . . 72.44 111.01 -175.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.62 -41.57 83.75 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.997 0.362 . . . . 72.44 110.914 -175.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -53.74 -48.12 69.97 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 121.489 -0.757 . . . . 75.22 109.372 174.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -59.89 -38.54 82.55 Favored 'General case' 0 N--CA 1.445 -0.689 0 O-C-N 123.95 0.781 . . . . 64.02 108.98 -170.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . 0.28 73.6 mt -47.63 -67.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.127 0 C-N-CA 126.291 1.836 . . . . 74.22 110.383 173.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -58.88 -20.63 53.09 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.761 1.164 . . . . 74.03 113.654 -177.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -95.12 -14.73 23.92 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.311 -0.868 . . . . 63.15 112.085 -178.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -115.8 14.55 16.32 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.848 1.259 . . . . 72.15 111.631 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.2 pp -135.24 138.66 43.77 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 107.926 -1.138 . . . . 72.41 107.926 164.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . 0.27 0.6 OUTLIER 49.75 166.93 0.03 OUTLIER Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 127.494 2.317 . . . . 74.41 116.499 160.361 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -73.01 155.32 52.83 Favored 'Trans proline' 0 N--CA 1.448 -1.174 0 O-C-N 118.718 -1.254 . . . . 71.24 109.442 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -61.51 149.31 90.24 Favored 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 122.367 2.045 . . . . 71.05 111.457 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.467 HD13 ' H ' ' A' ' 74' ' ' THR . 0.4 OUTLIER -94.36 174.46 7.12 Favored 'General case' 0 C--O 1.238 0.5 0 C-N-CA 125.197 1.399 . . . . 72.33 108.032 -171.509 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.467 ' H ' HD13 ' A' ' 73' ' ' LEU . 8.2 t -148.13 156.66 42.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.162 -0.961 . . . . 74.14 109.24 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -131.79 14.49 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 124.025 0.93 . . . . 74.55 110.128 177.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -166.82 31.21 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.332 -0.855 . . . . 74.45 111.848 177.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.56 13.49 31.11 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 126.028 1.775 . . . . 64.15 114.935 -170.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.422 ' HE3' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -101.37 107.04 18.27 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 125.398 1.479 . . . . 75.24 108.724 168.828 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.4 112.69 4.17 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 108.293 -1.003 . . . . 74.44 108.293 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.0 mm -76.5 121.85 29.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 N-CA-C 107.413 -1.329 . . . . 72.54 107.413 -173.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -76.81 157.96 31.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.313 -0.858 . . . . 74.12 108.844 172.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.6 t -140.49 134.34 34.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 106.841 -1.54 . . . . 74.51 106.841 -175.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -132.71 167.0 20.9 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 127.237 2.215 . . . . 72.13 109.446 -173.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -136.67 80.72 1.83 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.982 0.913 . . . . 74.32 109.59 -168.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.36 86.11 7.4 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 122.713 1.244 . . . . 55.34 108.607 174.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.7 tptm . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 107.929 -1.138 . . . . 73.05 107.929 168.594 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 107.757 -1.201 . . . . 71.31 107.757 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 51.6 m -126.95 124.14 38.78 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.998 1.319 . . . . 73.24 108.27 -170.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.2 mt -95.42 122.79 47.21 Favored 'Isoleucine or valine' 0 C--N 1.34 0.154 0 N-CA-C 106.922 -1.51 . . . . 74.32 106.922 175.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.7 mp -99.43 140.49 18.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 107.931 -1.137 . . . . 72.55 107.931 173.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.9 mt -103.98 160.29 14.94 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 124.456 1.102 . . . . 74.52 109.056 171.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -140.74 175.4 9.64 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.049 1.74 . . . . 73.52 108.409 -176.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.3 t30 49.62 42.0 22.48 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 122.881 1.324 . . . . 74.3 111.181 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 40.7 mt -84.19 121.84 28.03 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 104.564 -2.384 . . . . 73.22 104.564 170.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.603 ' H ' ' HE2' ' A' ' 78' ' ' LYS . 1.3 m-20 -69.98 152.45 95.89 Favored Pre-proline 0 CA--C 1.519 -0.235 0 N-CA-C 108.194 -1.039 . . . . 62.44 108.194 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -63.1 -32.12 75.26 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 123.383 2.722 . . . . 75.5 111.644 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 -69.63 -12.96 62.06 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.454 1.902 . . . . 65.51 113.675 174.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.2 m -80.75 153.88 27.54 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 122.584 1.183 . . . . 74.14 110.919 170.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.8 t -121.34 168.63 11.44 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 128.851 2.86 . . . . 53.21 104.634 166.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.0 ttp -46.1 -52.9 11.26 Favored 'General case' 0 C--O 1.211 -0.934 0 C-N-CA 125.608 1.563 . . . . 72.54 107.508 169.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -64.3 -16.06 61.42 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.43 1.27 . . . . 74.51 114.43 -172.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.95 -56.29 4.8 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.717 0.77 . . . . 73.43 109.4 168.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.2 mt -72.08 -52.7 23.15 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.216 0 N-CA-C 108.471 -0.937 . . . . 73.22 108.471 -170.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.6 tp -62.28 -20.87 64.73 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 124.026 0.93 . . . . 62.01 112.704 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -99.01 14.02 61.68 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 117.685 -1.62 . . . . 71.21 114.641 176.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -149.28 -34.98 0.18 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 120.133 1.966 . . . . 65.43 113.09 178.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.8 tp -78.24 18.25 0.55 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.998 1.319 . . . . 74.31 110.691 176.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.87 57.06 1.7 Allowed Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 125.436 1.494 . . . . 63.33 112.215 -178.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.92 -34.67 6.31 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 121.779 1.652 . . . . 71.14 112.356 170.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -124.92 -23.83 4.2 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.829 0.851 . . . . 73.04 112.769 -172.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -133.29 110.86 10.37 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.551 0.74 . . . . 74.42 109.933 168.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.0 t -83.72 122.77 38.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 N-CA-C 106.052 -1.833 . . . . 74.21 106.052 158.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -95.42 166.05 12.06 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.3 1.04 . . . . 75.32 109.481 165.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.4 t -81.96 161.61 22.99 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.697 0.761 . . . . 72.44 110.525 163.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -56.19 -41.09 75.01 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.527 1.531 . . . . 74.44 111.815 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 t -62.94 -34.51 77.63 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.046 -1.034 . . . . 75.12 110.815 -176.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -72.52 -14.63 61.69 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.957 1.703 . . . . 75.01 111.016 -178.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.9 t -122.63 88.66 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.308 0 C-N-CA 125.277 1.431 . . . . 75.1 110.33 -171.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.07 100.71 5.79 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 121.204 -0.935 . . . . 74.02 109.565 -178.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.8 t -91.65 108.39 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 125.134 1.374 . . . . 63.31 107.939 169.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.5 mt -69.53 141.16 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 108.028 -1.101 . . . . 75.43 108.028 170.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.38 142.23 51.19 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 124.181 0.992 . . . . 74.21 109.656 167.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.49 164.91 24.33 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 118.657 0.662 . . . . 75.44 111.621 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -83.56 -59.88 2.3 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.195 -0.669 . . . . 72.4 109.195 177.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.86 -53.47 53.63 Favored 'General case' 0 C--O 1.233 0.184 0 O-C-N 123.711 0.632 . . . . 75.12 109.298 -168.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.426 ' C ' ' H ' ' A' ' 45' ' ' LEU . 60.3 p -78.5 -22.13 47.88 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.711 0.404 . . . . 72.42 110.765 -174.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 66.14 -13.3 0.16 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.709 1.604 . . . . 73.43 113.458 -169.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.426 ' H ' ' C ' ' A' ' 43' ' ' THR . 51.7 mt -65.11 -167.53 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 129.508 3.123 . . . . 72.43 111.107 176.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -105.22 168.82 8.82 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.822 1.249 . . . . 63.13 112.33 175.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.7 -13.65 41.94 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.766 1.626 . . . . 75.21 112.096 177.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.17 13.33 56.3 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 124.387 0.994 . . . . 63.22 114.251 169.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -142.41 161.07 39.0 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 125.505 1.522 . . . . 71.31 107.727 170.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -158.71 165.31 34.66 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 124.317 1.047 . . . . 72.31 109.333 -177.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -125.39 111.03 14.66 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 124.763 1.225 . . . . 72.21 109.829 -160.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.9 mt -87.28 128.8 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 125.813 1.645 . . . . 74.4 107.727 169.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.25 142.8 48.72 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.959 1.303 . . . . 75.45 109.019 170.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.0 mt -147.17 179.61 7.51 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.012 1.725 . . . . 74.35 109.073 -177.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.47 160.51 8.75 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 109.067 -0.716 . . . . 72.23 109.067 162.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 p -61.03 -60.88 3.08 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.131 0.572 . . . . 55.43 110.166 -172.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.0 mt -62.38 -42.86 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-O 118.036 -0.983 . . . . 71.15 110.823 178.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -49.55 -57.23 7.49 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 123.84 0.856 . . . . 74.34 109.745 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.92 -53.66 55.7 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.015 1.326 . . . . 72.32 110.237 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.59 -49.73 76.64 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 125.09 1.356 . . . . 72.13 110.986 -172.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -60.5 -53.05 62.26 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 118.671 -0.681 . . . . 74.14 109.855 175.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.5 tp -53.34 -44.77 68.75 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 123.62 0.768 . . . . 73.32 111.193 -173.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.0 tp -51.67 -52.13 50.45 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 118.392 0.542 . . . . 62.0 111.055 174.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -66.16 -26.1 67.26 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 122.926 0.49 . . . . 75.32 111.538 -174.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.03 -60.17 3.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 107.787 -1.19 . . . . 71.3 107.787 171.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.09 -19.68 63.22 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.16 1.384 . . . . 74.13 113.243 -179.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -91.51 12.83 19.51 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 120.314 1.415 . . . . 74.13 112.653 176.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.85 -45.55 1.59 Allowed 'General case' 0 C--O 1.234 0.286 0 O-C-N 121.427 -0.796 . . . . 62.23 111.579 -174.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 pp -72.38 -171.03 0.72 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.263 1.425 . . . . 72.22 111.328 172.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -53.05 165.29 0.61 Allowed Pre-proline 0 CA--C 1.546 0.806 0 C-N-CA 128.492 2.717 . . . . 74.01 115.457 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -67.28 164.29 31.07 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.612 2.208 . . . . 74.21 112.184 178.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -67.77 153.12 76.62 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 122.763 2.308 . . . . 72.24 112.887 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -82.8 126.99 33.04 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 128.003 2.521 . . . . 63.44 108.294 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.98 146.67 23.67 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.587 1.155 . . . . 74.31 108.186 -177.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.16 13.68 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 122.884 0.473 . . . . 71.32 111.516 -174.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.442 ' CB ' ' HE3' ' A' ' 78' ' ' LYS . 0.4 OUTLIER -169.32 33.82 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.621 1.168 . . . . 72.52 109.313 176.499 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.59 24.19 67.66 Favored Glycine 0 CA--C 1.533 1.174 0 O-C-N 120.525 -1.359 . . . . 74.1 113.918 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.603 ' HE2' ' H ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -120.64 113.39 20.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 127.668 2.387 . . . . 72.2 108.296 175.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.53 123.44 25.47 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 119.0 -1.08 . . . . 72.52 108.869 176.183 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 14.3 mm -64.58 164.51 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 124.538 1.135 . . . . 71.14 108.672 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -129.9 157.12 43.14 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 126.562 1.945 . . . . 74.13 106.41 176.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 39.8 t -119.51 134.86 61.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 106.493 -1.669 . . . . 75.21 106.493 -173.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -134.1 161.24 35.42 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 123.899 0.88 . . . . 74.53 109.526 170.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -135.97 91.42 2.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.431 -1.259 . . . . 75.13 109.661 -172.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.12 76.31 3.48 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 122.214 1.007 . . . . 75.44 109.3 178.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 109.251 -0.648 . . . . 75.01 109.251 -175.26 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.237 0.415 0 CA-C-O 121.756 0.789 . . . . 75.21 112.725 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.8 m -101.03 109.28 21.16 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.646 -0.706 . . . . 73.32 109.416 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.9 mt -79.18 114.49 20.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 N-CA-C 105.427 -2.064 . . . . 74.52 105.427 166.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.3 mt -84.75 137.02 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 108.832 -0.803 . . . . 63.1 108.832 174.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.6 mt -106.59 159.22 16.35 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 124.311 1.044 . . . . 72.13 109.369 170.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 mtp-105 -139.53 172.52 12.69 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 125.261 1.424 . . . . 72.41 110.089 172.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.6 t30 73.07 14.3 4.7 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.728 2.011 . . . . 63.25 112.941 172.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -55.83 125.16 20.14 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 120.515 -1.366 . . . . 73.41 108.967 175.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -69.93 157.96 88.44 Favored Pre-proline 0 C--O 1.236 0.394 0 CA-C-N 118.012 0.369 . . . . 74.23 110.428 176.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -65.08 -27.35 57.39 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 123.372 2.714 . . . . 64.12 112.316 -170.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -114.16 14.11 18.14 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.75 1.22 . . . . 74.51 112.244 -178.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 t -75.94 -24.23 55.49 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.215 -0.928 . . . . 71.34 113.392 -177.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.347 5.3 t 44.45 -164.59 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 128.069 2.548 . . . . 71.22 111.06 -164.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.0 ptm -91.89 -38.55 12.24 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 128.038 2.535 . . . . 73.55 106.148 162.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -71.72 -13.17 61.64 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 125.684 1.593 . . . . 74.15 112.57 -164.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.2 m -122.5 23.61 9.57 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.078 1.351 . . . . 72.21 111.026 175.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 56.6 mt -120.27 -39.61 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 126.861 2.064 . . . . 74.11 110.38 161.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.95 -40.86 45.15 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.863 1.265 . . . . 74.4 112.599 -167.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.1 -18.46 76.57 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-O 118.901 -0.944 . . . . 71.43 114.208 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.44 13.28 11.79 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 118.961 1.381 . . . . 72.23 112.86 -175.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 tt -126.44 39.46 3.93 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.301 1.041 . . . . 74.53 109.133 169.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.25 54.36 14.38 Favored Pre-proline 0 CA--C 1.549 0.909 0 N-CA-C 114.132 1.16 . . . . 72.45 114.132 -176.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -79.89 -21.79 8.0 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 123.123 2.549 . . . . 72.14 114.636 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -132.61 -24.94 1.94 Allowed 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.82 0.737 . . . . 71.53 112.654 -172.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.37 123.35 21.47 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 104.995 -2.224 . . . . 62.44 104.995 178.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.4 t -96.6 71.64 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 107.569 -1.271 . . . . 63.1 107.569 -169.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.0 mt -55.37 158.91 2.96 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 126.919 2.088 . . . . 75.31 111.89 -171.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.2 t -118.95 161.96 19.32 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 122.407 1.099 . . . . 71.32 111.638 170.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 m -52.12 -24.08 6.39 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 128.126 2.57 . . . . 75.4 112.481 173.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 p -77.53 -53.77 7.21 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.101 1.36 . . . . 74.13 111.386 175.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -55.48 -42.55 74.54 Favored 'General case' 0 CA--C 1.51 -0.566 0 C-N-CA 125.189 1.395 . . . . 74.14 111.161 -175.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.6 t -81.2 112.57 19.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.864 0 N-CA-C 106.499 -1.667 . . . . 70.3 106.499 178.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.1 mmt-85 -92.05 126.99 37.35 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.978 1.311 . . . . 74.52 108.076 163.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.8 t -129.19 113.33 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 126.879 2.072 . . . . 65.44 107.761 170.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.3 mt -68.19 104.52 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 N-CA-C 105.746 -1.946 . . . . 75.4 105.746 172.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -85.62 132.93 34.08 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.222 -1.399 . . . . 75.13 107.222 168.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.45 137.07 57.21 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 122.736 0.414 . . . . 74.21 110.478 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -65.29 -31.88 73.25 Favored 'General case' 0 CA--C 1.516 -0.344 0 O-C-N 121.304 -0.872 . . . . 74.44 113.35 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -86.79 -55.05 4.03 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.34 -0.985 . . . . 72.34 108.34 -171.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.401 HG22 ' H ' ' A' ' 45' ' ' LEU . 14.9 t -89.65 -14.15 35.47 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 119.023 -0.513 . . . . 74.54 110.888 -168.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 72.32 -13.06 0.65 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.924 1.29 . . . . 72.34 112.557 -170.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.401 ' H ' HG22 ' A' ' 43' ' ' THR . 17.9 mt -65.71 178.25 1.07 Allowed 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 120.269 1.395 . . . . 74.45 111.327 178.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -88.18 176.41 7.27 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.98 1.312 . . . . 53.32 109.559 166.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -95.46 15.73 18.87 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.662 1.185 . . . . 72.2 113.655 175.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.34 14.49 71.74 Favored Glycine 0 CA--C 1.533 1.185 0 O-C-N 120.231 -1.543 . . . . 61.44 114.218 176.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -142.75 171.41 14.09 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 126.219 1.808 . . . . 74.4 107.754 169.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -148.01 171.28 16.07 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 124.602 1.161 . . . . 65.32 108.726 169.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -131.83 100.24 5.02 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.823 1.649 . . . . 74.41 106.795 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.7 mt -78.36 135.97 24.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 105.67 -1.974 . . . . 73.51 105.67 165.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.2 142.49 33.99 Favored 'General case' 0 N--CA 1.432 -1.371 0 CA-C-N 120.234 1.379 . . . . 74.22 108.434 164.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.9 mt -132.65 -171.04 2.56 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 125.064 1.345 . . . . 72.11 108.716 -166.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.48 147.46 3.35 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.915 -0.402 . . . . 74.43 109.915 150.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.1 p -47.38 -68.28 0.2 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.968 2.107 . . . . 73.1 111.465 177.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.9 mm -61.87 -39.54 83.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 125.397 1.479 . . . . 75.44 110.007 -176.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.46 -53.6 56.53 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.512 0.725 . . . . 75.32 110.047 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.54 -55.48 34.46 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.642 0.777 . . . . 73.21 111.095 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.2 -30.27 69.31 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 112.882 0.697 . . . . 61.23 112.882 -167.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -70.78 -57.46 4.62 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-N 119.275 0.943 . . . . 74.44 109.251 170.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.29 -45.39 65.47 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 124.525 1.13 . . . . 73.02 110.381 -170.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.0 tp -46.41 -53.5 10.93 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.095 0.958 . . . . 74.4 110.787 177.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -65.55 -34.85 79.21 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 118.637 -0.697 . . . . 73.14 112.07 -174.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 56.3 mt -54.1 -54.6 19.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 107.209 -1.404 . . . . 74.32 107.209 174.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.6 mt -59.14 -28.73 66.83 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.229 0.826 . . . . 65.23 113.229 -177.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -86.05 14.24 6.53 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.886 0.874 . . . . 74.04 112.337 -173.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -144.06 14.47 1.68 Allowed 'General case' 0 C--O 1.238 0.458 0 N-CA-C 113.989 1.107 . . . . 73.44 113.989 -172.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 pp -139.3 -173.96 3.74 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.483 1.113 . . . . 74.12 110.991 -172.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -46.66 158.47 0.41 Allowed Pre-proline 0 CA--C 1.538 0.504 0 C-N-CA 125.84 1.656 . . . . 74.01 112.43 176.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -69.66 164.92 32.64 Favored 'Trans proline' 0 CA--C 1.544 0.976 0 C-N-CA 121.518 1.479 . . . . 74.41 112.153 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -70.17 161.59 45.43 Favored 'Trans proline' 0 CA--C 1.544 1.016 0 C-N-CA 122.232 1.954 . . . . 73.25 113.391 -176.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -98.2 116.04 29.58 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 129.409 3.084 . . . . 71.52 108.976 -172.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.26 146.14 25.49 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.486 1.115 . . . . 65.55 109.121 -178.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -128.44 16.73 2.93 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 C-N-CA 124.785 1.234 . . . . 73.25 111.187 178.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -161.39 37.74 0.14 Allowed 'General case' 0 N--CA 1.482 1.162 0 O-C-N 120.028 -1.67 . . . . 71.54 108.523 168.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.99 14.09 58.37 Favored Glycine 0 CA--C 1.537 1.458 0 O-C-N 120.652 -1.28 . . . . 73.23 115.826 -173.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.471 ' HZ1' HD13 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -117.42 98.09 6.23 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 120.54 2.17 . . . . 74.53 109.59 -175.554 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.79 116.66 5.0 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 120.098 -1.626 . . . . 74.41 109.423 177.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.471 HD13 ' HZ1' ' A' ' 78' ' ' LYS . 39.7 mm -66.4 165.22 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 124.997 1.319 . . . . 73.31 109.683 177.109 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -126.5 168.71 13.87 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 125.298 1.439 . . . . 74.3 110.906 -176.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.3 t -128.69 140.79 48.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 N-CA-C 107.974 -1.121 . . . . 73.33 107.974 -177.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -148.93 165.23 32.19 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 127.839 2.456 . . . . 63.42 106.55 171.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -137.83 104.12 5.19 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.842 0.857 . . . . 74.2 111.459 -169.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.3 84.15 1.89 Allowed 'General case' 0 C--O 1.234 0.254 0 C-N-CA 125.17 1.388 . . . . 74.33 108.347 175.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 C-N-CA 124.808 1.243 . . . . 73.44 107.892 176.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.854 0 N-CA-C 109.65 -1.38 . . . . 70.54 109.65 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -61.51 -32.16 72.19 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 117.485 -1.245 . . . . 73.21 114.244 -171.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 90.2 mtp 44.84 69.29 0.45 Allowed 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.635 1.107 . . . . 72.4 112.609 168.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 66.03 94.06 0.06 Allowed 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 126.726 2.011 . . . . 72.23 111.058 -177.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 56.9 m -139.85 127.42 21.65 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 125.384 1.473 . . . . 74.32 107.778 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.0 mt -85.99 134.4 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 105.19 -2.152 . . . . 72.4 105.19 164.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.5 mt -104.03 150.85 6.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 C-N-CA 125.435 1.494 . . . . 72.1 108.72 170.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.8 mt -117.14 162.0 18.53 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 124.78 1.232 . . . . 71.34 109.066 171.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -145.46 173.6 11.87 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 126.642 1.977 . . . . 74.44 108.597 -177.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.2 t30 60.53 28.25 17.92 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.172 1.389 . . . . 73.23 112.185 169.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 29.8 mt -73.0 133.86 44.45 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 106.916 -1.513 . . . . 74.5 106.916 171.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.61 ' H ' ' HE2' ' A' ' 78' ' ' LYS . 1.7 m-20 -71.44 161.54 77.86 Favored Pre-proline 0 C--O 1.239 0.511 0 C-N-CA 123.019 0.528 . . . . 70.55 109.676 175.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -54.47 -52.66 7.66 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 123.912 3.075 . . . . 73.21 112.778 174.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -72.02 -14.62 61.93 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.821 1.248 . . . . 73.21 114.27 -173.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.6 m -69.42 167.14 17.21 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 120.944 -1.097 . . . . 71.31 111.634 -174.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.6 t -147.08 169.52 19.09 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 107.049 -1.463 . . . . 72.35 107.049 171.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 59.0 ttp -60.33 -51.3 70.1 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 127.784 2.434 . . . . 74.3 107.641 -174.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.39 -28.34 69.17 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 118.504 0.593 . . . . 63.42 112.17 -175.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.0 m -71.58 -55.59 7.49 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 109.161 -0.681 . . . . 72.12 109.161 175.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.0 mt -55.05 -44.48 74.42 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.154 0 C-N-CA 123.911 0.884 . . . . 73.14 109.993 177.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.6 mt -59.17 -15.69 16.17 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.127 0.788 . . . . 70.12 113.127 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.74 -52.02 4.58 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 119.329 0.968 . . . . 74.44 111.4 172.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -111.9 13.78 20.9 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.476 0.917 . . . . 62.54 113.476 -164.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.8 tp -119.31 14.99 13.04 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 124.636 1.174 . . . . 73.3 110.61 173.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -133.07 54.2 12.8 Favored Pre-proline 0 CA--C 1.54 0.578 0 O-C-N 121.025 -1.047 . . . . 74.2 112.969 -168.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -72.18 -51.57 0.21 Allowed 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 121.784 1.656 . . . . 73.33 111.191 174.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -75.4 -56.51 4.63 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-O 118.804 -0.617 . . . . 74.41 110.252 -172.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.13 153.74 49.06 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.98 1.712 . . . . 74.24 108.912 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.3 t -122.21 116.43 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 106.483 -1.673 . . . . 75.21 106.483 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -64.22 172.39 2.49 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 122.623 0.369 . . . . 73.31 111.251 170.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.9 m -84.9 -85.56 0.14 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.602 -0.888 . . . . 73.11 108.602 165.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.4 p -170.26 -50.63 0.02 OUTLIER 'General case' 0 C--O 1.233 0.204 0 CA-C-N 119.566 1.075 . . . . 54.32 111.325 -168.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 p -63.5 -24.89 68.01 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 121.159 -0.963 . . . . 70.12 110.243 176.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -52.3 -48.44 65.36 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.799 1.24 . . . . 73.14 110.126 172.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.0 t -100.38 85.46 1.12 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-O 123.78 1.752 . . . . 70.44 109.667 -159.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.3 mmt-85 -71.95 93.36 1.35 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.887 1.675 . . . . 73.43 109.78 174.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.0 t -95.19 103.03 14.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 N-CA-C 104.189 -2.522 . . . . 74.44 104.189 162.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.0 mt -66.72 143.58 15.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 106.975 -1.491 . . . . 71.11 106.975 169.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.69 149.79 52.37 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.394 1.078 . . . . 74.44 110.661 176.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -63.46 178.67 0.53 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.251 1.82 . . . . 74.24 110.162 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -119.38 -30.55 4.86 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.7 -1.25 . . . . 74.45 112.125 167.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -80.96 -53.47 6.41 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 107.711 -1.218 . . . . 74.51 107.711 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.9 p -83.45 -14.28 52.88 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 121.051 -0.26 . . . . 64.53 110.997 -170.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 53.07 43.26 31.9 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.796 1.239 . . . . 71.55 109.847 -174.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.2 mt -116.81 174.09 6.28 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 124.996 1.318 . . . . 70.22 108.548 174.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -80.5 179.81 7.55 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 124.91 1.284 . . . . 71.32 109.759 172.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -89.55 -13.37 37.46 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.024 0.929 . . . . 74.44 112.848 163.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.92 -21.63 42.69 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-N 119.378 0.99 . . . . 71.53 114.155 169.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -105.78 170.95 7.6 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 121.17 -1.194 . . . . 73.25 108.287 162.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -152.17 175.97 12.04 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 124.546 1.138 . . . . 73.4 109.389 171.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -134.91 141.83 46.4 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.819 1.648 . . . . 72.42 107.699 -175.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.6 mt -121.09 109.8 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 127.777 2.431 . . . . 74.51 106.902 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.07 124.77 36.41 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 106.989 -1.486 . . . . 74.53 106.989 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.7 mt -141.12 169.34 17.79 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 125.836 1.655 . . . . 74.24 108.798 -178.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.4 t -65.66 166.08 11.38 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.857 0.863 . . . . 65.41 110.978 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.4 m -51.86 -29.14 18.46 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 127.775 2.43 . . . . 73.41 114.022 -169.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.2 mt -117.88 -25.88 2.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 125.402 1.481 . . . . 74.21 110.584 -176.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.63 -44.7 85.63 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.88 0.872 . . . . 73.52 111.266 -174.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.8 -54.75 33.95 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 123.626 0.579 . . . . 65.14 109.603 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.56 -47.26 76.68 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.3 1.44 . . . . 71.1 112.583 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -60.08 -60.23 4.16 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 118.837 0.744 . . . . 74.5 109.241 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 tt -52.7 -48.59 66.48 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.849 1.26 . . . . 74.12 110.052 -175.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -45.84 92.14 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 118.428 -0.796 . . . . 71.1 111.585 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -59.91 -36.36 76.84 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 120.054 1.297 . . . . 71.52 110.663 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 57.4 mt -51.38 -57.95 2.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 108.528 -0.916 . . . . 73.41 108.528 173.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.57 -16.66 49.95 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 126.079 1.752 . . . . 74.5 114.432 -178.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -98.5 13.41 31.9 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 119.614 1.097 . . . . 74.53 111.736 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -129.99 13.29 5.74 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 113.523 0.934 . . . . 70.12 113.523 -174.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 pp -154.2 -171.79 3.99 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.729 0.695 . . . . 74.2 111.28 -166.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -46.45 152.61 0.84 Allowed Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 125.568 1.547 . . . . 74.31 113.567 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -64.79 161.65 35.22 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.587 2.192 . . . . 73.2 111.629 -178.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -69.03 167.19 24.19 Favored 'Trans proline' 0 N--CA 1.449 -1.135 0 C-N-CA 122.113 1.875 . . . . 64.5 110.904 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.415 HD21 ' H ' ' A' ' 74' ' ' THR . 0.2 OUTLIER -91.87 -179.46 5.31 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 127.152 2.181 . . . . 74.11 109.845 -172.054 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.415 ' H ' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -132.76 151.05 52.08 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 124.638 1.175 . . . . 73.44 108.126 169.415 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -131.05 22.02 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 C-N-CA 125.313 1.445 . . . . 71.44 109.52 -178.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.476 ' CB ' ' HE3' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -166.72 -22.8 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 114.021 1.119 . . . . 74.15 114.021 179.558 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.95 13.64 3.6 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 128.662 3.029 . . . . 64.35 111.17 -178.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.61 ' HE2' ' H ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -119.16 111.65 18.52 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 127.582 2.353 . . . . 74.35 109.401 -177.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 m -72.66 121.81 20.4 Favored 'General case' 0 C--N 1.332 -0.192 0 O-C-N 121.459 -0.776 . . . . 74.22 109.465 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.1 mm -65.34 160.35 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 119.105 0.866 . . . . 73.3 110.592 -175.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.66 152.57 39.19 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 125.164 1.385 . . . . 73.51 107.432 171.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 t -117.02 137.5 50.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 N-CA-C 106.824 -1.546 . . . . 71.11 106.824 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -133.21 164.5 26.93 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 125.28 1.432 . . . . 74.1 108.026 172.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -139.74 116.13 10.6 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 124.225 1.01 . . . . 74.44 108.551 -176.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -117.71 70.79 0.8 Allowed 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 107.938 -1.134 . . . . 64.43 107.938 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.2 66.71 2.37 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.615 1.166 . . . . 70.43 108.558 173.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -95.28 89.29 1.16 Allowed Glycine 0 C--O 1.238 0.358 0 N-CA-C 108.18 -1.968 . . . . 72.31 108.18 176.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.6 p . . . . . 0 C--O 1.256 1.427 0 C-N-CA 123.95 0.9 . . . . 73.4 110.351 -176.05 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.42 0 N-CA-C 109.942 -1.263 . . . . 24.42 109.942 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -155.43 136.07 13.44 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 105.847 -1.908 . . . . 74.42 105.847 -176.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 34.7 mtm 74.17 30.35 1.22 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.315 1.446 . . . . 64.43 110.598 -159.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -165.79 121.24 1.28 Allowed 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 126.38 1.872 . . . . 75.33 108.597 -177.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.6 m -145.76 134.05 21.77 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 127.301 2.24 . . . . 74.3 108.405 147.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.8 mt -103.65 134.1 45.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 104.342 -2.466 . . . . 75.02 104.342 163.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.1 mt -108.25 144.7 16.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 107.485 -1.302 . . . . 74.23 107.485 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.8 mp -111.39 155.41 23.17 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.08 1.352 . . . . 72.3 107.886 173.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 -136.7 173.1 12.07 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 124.657 1.183 . . . . 74.14 108.853 171.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 61.7 t30 60.95 27.37 17.24 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.229 1.812 . . . . 74.54 113.256 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.35 115.81 6.69 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 119.69 -1.881 . . . . 75.14 106.216 165.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -58.4 156.64 21.27 Favored Pre-proline 0 C--O 1.236 0.349 0 CA-C-N 118.498 0.59 . . . . 72.4 110.107 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -59.7 -39.96 68.86 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 123.155 2.57 . . . . 73.34 111.923 -172.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -100.44 14.06 32.43 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.267 1.027 . . . . 72.5 112.952 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 73.2 m -74.81 168.24 20.27 Favored 'General case' 0 CA--C 1.53 0.178 0 O-C-N 121.101 -1.0 . . . . 51.21 110.874 167.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 p -124.85 -164.4 1.27 Allowed 'General case' 0 C--O 1.236 0.347 0 C-N-CA 124.02 0.928 . . . . 73.2 108.553 -178.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.8 ptm -88.14 -59.98 2.09 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 107.474 -1.306 . . . . 75.13 107.474 162.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -44.6 -44.43 8.87 Favored 'General case' 0 CA--C 1.521 -0.14 0 C-N-CA 127.611 2.364 . . . . 61.33 113.03 -178.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.7 m -74.26 -23.67 59.17 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.693 0.627 . . . . 72.34 112.693 -174.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.9 mt -85.18 -46.01 17.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 N-CA-C 108.418 -0.956 . . . . 74.41 108.418 169.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.8 mt -59.18 -37.84 78.37 Favored 'General case' 0 C--O 1.227 -0.097 0 C-N-CA 124.563 1.145 . . . . 74.21 111.215 -174.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.32 14.53 49.91 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-O 118.52 -1.155 . . . . 72.11 113.949 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -141.3 -25.4 0.72 Allowed 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.907 1.353 . . . . 74.34 113.028 -178.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 tt -113.27 37.25 3.24 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.879 2.071 . . . . 74.2 108.736 -175.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.48 53.85 1.16 Allowed Pre-proline 0 CA--C 1.551 1.011 0 N-CA-C 114.694 1.368 . . . . 73.44 114.694 174.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -84.12 -16.23 6.28 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 123.61 2.873 . . . . 73.41 115.253 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -133.01 -26.83 1.69 Allowed 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 120.196 1.362 . . . . 73.03 113.608 -175.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.26 155.88 46.69 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 126.364 1.866 . . . . 74.23 106.69 169.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.2 t -140.0 81.55 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 106.629 -1.619 . . . . 65.3 106.629 -167.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.8 mt -66.22 143.43 57.24 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 123.318 0.647 . . . . 74.21 109.991 -167.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.9 m -85.45 37.24 0.68 Allowed 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.657 1.583 . . . . 74.4 111.662 -168.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.9 m 60.19 -64.01 0.06 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 127.408 2.283 . . . . 73.44 114.319 -177.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.4 t -50.14 -35.21 24.96 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 126.773 2.029 . . . . 61.22 111.466 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -50.41 -33.16 19.75 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 118.773 -0.632 . . . . 74.12 111.883 173.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.7 t -108.28 137.82 38.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 119.513 1.051 . . . . 75.51 111.626 -162.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.51 90.26 2.97 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 126.533 1.933 . . . . 75.42 108.657 -176.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.6 t -87.36 97.57 6.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 105.449 -2.056 . . . . 72.33 105.449 160.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.2 mt -78.3 138.19 20.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 107.172 -1.418 . . . . 75.11 107.172 176.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -85.4 158.46 20.23 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 123.182 0.593 . . . . 75.45 110.701 173.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.69 -174.77 0.11 Allowed 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 124.538 1.135 . . . . 75.55 113.194 172.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -108.99 -29.77 8.41 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.725 1.61 . . . . 75.55 112.99 169.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -101.36 -46.44 5.01 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.273 0.629 . . . . 71.53 109.466 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.44 ' C ' ' H ' ' A' ' 45' ' ' LEU . 52.9 p -82.15 -16.07 51.12 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 118.767 -1.173 . . . . 73.23 111.74 -166.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 65.34 -13.41 0.13 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 127.742 2.417 . . . . 72.53 114.108 -172.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.44 ' H ' ' C ' ' A' ' 43' ' ' THR . 31.5 mt -65.39 -179.08 0.57 Allowed 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 127.722 2.409 . . . . 75.42 110.482 172.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -69.87 166.71 18.88 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 124.703 1.201 . . . . 73.32 109.906 168.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -73.78 -14.24 61.08 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 118.276 -0.868 . . . . 75.51 113.205 165.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.7 -15.47 62.98 Favored Glycine 0 CA--C 1.528 0.889 0 CA-C-N 119.943 1.247 . . . . 61.14 113.071 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -123.43 160.08 27.62 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 126.823 2.049 . . . . 72.33 107.493 167.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -145.93 175.39 10.47 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 123.929 0.892 . . . . 54.24 109.419 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -132.29 154.7 49.42 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.154 1.382 . . . . 74.33 108.656 -172.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.3 mt -127.14 140.44 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 128.233 2.613 . . . . 74.14 107.57 170.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -127.57 90.26 3.09 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 127.603 2.361 . . . . 75.13 107.792 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.6 mt -93.77 -173.95 3.31 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 126.141 1.776 . . . . 75.1 110.622 -174.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.5 t -70.02 154.32 42.09 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 107.13 -1.434 . . . . 73.31 107.13 156.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.1 m -59.84 -46.29 89.74 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.898 0.879 . . . . 75.23 111.323 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.1 mt -64.21 -46.51 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 O-C-N 121.295 -0.878 . . . . 72.0 109.581 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -63.28 -44.77 94.14 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.099 0.56 . . . . 73.2 110.351 -176.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.12 -43.77 74.41 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.577 1.151 . . . . 74.02 110.519 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.12 -62.39 1.58 Allowed 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 122.558 0.343 . . . . 72.43 110.735 173.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -53.21 -52.98 57.13 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 124.319 1.048 . . . . 73.1 111.423 -171.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.24 -44.08 92.36 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.588 1.155 . . . . 72.42 109.859 -177.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 tp -58.98 -39.77 82.77 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 110.026 -0.361 . . . . 75.04 110.026 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -63.4 -40.61 97.66 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.368 0.531 . . . . 74.03 110.735 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 62.5 mt -59.44 -50.05 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 N-CA-C 107.864 -1.162 . . . . 74.41 107.864 174.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.9 mt -60.23 -14.67 19.0 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 114.214 1.19 . . . . 74.42 114.214 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -107.94 31.86 5.19 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.029 1.732 . . . . 71.44 111.037 175.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.57 -30.19 0.13 Allowed 'General case' 0 C--O 1.236 0.386 0 C-N-CA 124.903 1.281 . . . . 74.23 113.885 169.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -172.09 1.25 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.283 1.833 . . . . 74.31 114.672 -169.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -66.08 144.87 98.94 Favored Pre-proline 0 CA--C 1.535 0.373 0 C-N-CA 123.87 0.868 . . . . 63.43 111.074 172.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -65.53 161.78 36.87 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 122.817 2.344 . . . . 74.12 112.204 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -73.79 140.37 29.0 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 122.605 2.203 . . . . 65.2 113.26 -171.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 tt -61.32 114.18 3.04 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 127.986 2.514 . . . . 73.54 107.983 172.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.86 145.47 32.71 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.301 -0.875 . . . . 72.44 108.675 174.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.0 16.38 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 124.108 0.963 . . . . 72.53 111.071 -171.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -170.63 24.32 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 126.491 1.917 . . . . 73.44 109.702 176.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.45 19.89 79.73 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 120.558 -1.339 . . . . 72.42 114.317 -175.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.54 95.68 4.89 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 127.921 2.488 . . . . 72.23 110.622 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.7 m -63.49 116.16 5.33 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.239 -1.022 . . . . 73.42 108.239 172.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.8 mm -61.92 163.85 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 124.268 1.027 . . . . 72.2 110.161 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.8 161.57 22.46 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 125.938 1.695 . . . . 73.13 109.227 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 t -121.77 142.46 37.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 125.844 1.658 . . . . 74.02 106.848 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -148.19 165.01 32.21 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 126.117 1.767 . . . . 54.14 107.728 174.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -129.66 128.82 43.37 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 106.975 -1.491 . . . . 61.1 106.975 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.47 64.79 1.54 Allowed 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 107.526 -1.287 . . . . 73.23 107.526 174.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.39 55.01 1.19 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.728 1.611 . . . . 72.44 109.012 -178.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.65 15.58 47.89 Favored Glycine 0 CA--C 1.534 1.233 0 O-C-N 120.584 -1.323 . . . . 75.04 113.939 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.25 1.112 0 C-N-CA 126.168 1.787 . . . . 75.13 107.497 -178.882 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.888 0 N-CA-C 110.589 -1.004 . . . . 75.11 110.589 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -154.79 -64.53 0.13 Allowed 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 107.553 -1.277 . . . . 75.21 107.553 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.13 165.49 0.22 Allowed 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.978 1.311 . . . . 74.43 110.359 167.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.424 ' HB3' ' CB ' ' A' ' 59' ' ' ALA . 19.6 m-20 71.65 86.31 0.12 Allowed 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 126.414 1.886 . . . . 73.4 109.782 172.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.9 m -119.72 108.32 14.29 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 112.631 -2.077 . . . . 61.32 105.515 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.9 mt -81.56 144.0 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 104.495 -2.409 . . . . 75.21 104.495 160.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.1 mt -126.07 137.87 56.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 105.587 -2.005 . . . . 72.41 105.587 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.7 mt -102.42 157.25 17.05 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 107.965 -1.124 . . . . 71.31 107.965 170.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -134.27 176.3 8.72 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 126.474 1.91 . . . . 75.3 108.626 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.6 t30 48.52 52.67 13.34 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 125.432 1.493 . . . . 75.53 110.939 173.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.4 mt -95.54 131.34 41.83 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 106.381 -1.711 . . . . 75.53 106.381 172.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.527 ' ND2' ' HZ2' ' A' ' 78' ' ' LYS . 17.0 p30 -73.4 159.41 84.86 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 108.944 -0.762 . . . . 64.4 108.944 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -68.51 -17.88 43.45 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 124.035 3.156 . . . . 75.22 114.158 -177.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.26 -25.6 42.51 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.094 0.958 . . . . 73.03 111.957 172.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.6 p -71.7 170.33 13.75 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 119.7 -0.8 . . . . 75.22 112.095 -160.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 t -146.73 165.31 30.03 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 106.15 -1.796 . . . . 73.03 106.15 164.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.6 ptt? -52.76 -36.7 58.36 Favored 'General case' 0 C--O 1.211 -0.968 0 C-N-CA 124.789 1.236 . . . . 75.51 109.804 160.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.84 -29.43 69.5 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 120.178 1.353 . . . . 75.2 112.563 -174.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -77.41 -63.44 1.37 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.565 1.546 . . . . 64.14 107.42 175.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.7 mt -63.28 -25.98 39.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 127.01 2.124 . . . . 71.3 111.687 -169.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.3 mt -68.14 -19.41 64.81 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 120.481 -1.387 . . . . 75.12 113.209 175.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.11 -33.21 5.28 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.17 -0.772 . . . . 74.1 111.17 172.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.08 -36.59 16.85 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 122.039 -0.683 . . . . 61.5 111.565 -170.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.5 tp -102.56 42.48 1.14 Allowed 'General case' 0 C--O 1.233 0.216 0 N-CA-C 107.678 -1.23 . . . . 75.31 107.678 -178.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.68 54.14 2.78 Favored Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 123.834 0.854 . . . . 61.42 111.188 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.428 ' HG2' ' CD1' ' A' ' 27' ' ' TYR . 60.9 Cg_endo -71.26 -24.7 22.84 Favored 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 122.527 2.151 . . . . 73.1 113.996 -175.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.428 ' CD1' ' HG2' ' A' ' 26' ' ' PRO . 7.8 m-85 -135.46 -59.36 0.77 Allowed 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 107.629 -1.249 . . . . 75.5 107.629 -169.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.42 164.13 12.1 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 124.386 1.075 . . . . 75.54 109.358 176.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.9 t -139.46 112.01 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 N-CA-C 107.331 -1.359 . . . . 72.13 107.331 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.3 mt -79.73 -171.77 3.0 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.341 1.856 . . . . 72.33 110.883 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 74.1 m -129.94 164.13 24.88 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.728 1.611 . . . . 74.13 110.444 165.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.8 p -66.6 -24.97 66.4 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 120.798 -1.189 . . . . 74.31 111.872 -176.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 p -54.69 -24.9 23.96 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 125.03 1.332 . . . . 74.41 112.467 168.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -111.05 14.27 21.93 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 126.037 1.735 . . . . 73.41 109.676 -171.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.5 t -135.74 92.99 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 107.199 -1.408 . . . . 72.13 107.199 174.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.56 98.0 2.73 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 107.047 -1.464 . . . . 75.2 107.047 169.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.7 t -98.38 106.01 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 104.71 -2.329 . . . . 73.43 104.71 164.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.3 mt -70.25 138.3 22.27 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 106.518 -1.66 . . . . 73.23 106.518 165.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.47 157.88 41.44 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 123.431 0.692 . . . . 73.32 109.61 175.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -69.81 163.58 25.51 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.658 1.183 . . . . 73.13 110.405 -178.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -103.84 -20.3 13.97 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.235 1.414 . . . . 71.12 112.754 -178.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -112.16 -46.25 3.22 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 125.601 1.561 . . . . 74.31 108.728 -174.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.3 p -89.93 -16.3 30.23 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 118.097 0.408 . . . . 74.41 111.742 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 53.76 46.33 26.06 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.122 1.369 . . . . 75.22 110.952 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.2 mt -124.64 156.15 38.0 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.789 1.636 . . . . 75.31 109.625 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -66.95 164.26 17.99 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 122.742 1.258 . . . . 72.44 112.467 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.48 -13.69 60.39 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.37 -0.831 . . . . 73.24 111.288 167.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.51 -14.79 64.48 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-N 119.985 1.266 . . . . 60.23 114.457 171.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -120.57 160.16 23.78 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 106.891 -1.522 . . . . 72.31 106.891 162.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -143.7 157.08 44.65 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 124.532 1.133 . . . . 74.24 108.933 -177.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -106.97 153.76 22.09 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 125.104 1.361 . . . . 75.32 107.708 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.5 mt -133.03 128.53 56.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 C-N-CA 127.03 2.132 . . . . 75.41 107.157 176.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -105.4 126.53 52.22 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 106.135 -1.802 . . . . 73.44 106.135 171.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.2 mt -136.57 169.97 16.82 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 125.821 1.648 . . . . 74.33 107.328 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.5 t -65.69 162.37 18.67 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 108.929 -0.767 . . . . 74.41 108.929 169.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.9 m -45.47 -51.83 11.06 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 127.606 2.362 . . . . 73.4 110.612 173.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.1 mt -68.23 -52.55 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 109.031 -0.729 . . . . 74.33 109.031 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.41 -47.31 86.65 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.431 0.692 . . . . 75.3 110.874 -168.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.424 ' CB ' ' HB3' ' A' ' 4' ' ' ASP . . . -57.96 -56.69 18.75 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.234 1.014 . . . . 74.13 109.173 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.49 -61.28 2.41 Favored 'General case' 0 N--CA 1.446 -0.661 0 O-C-N 124.146 0.903 . . . . 75.31 109.636 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -57.18 -47.76 80.44 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 118.42 -0.8 . . . . 75.33 111.194 -174.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.72 -48.03 78.64 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 119.368 0.985 . . . . 74.2 110.408 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 tp -62.66 -35.36 79.39 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 119.18 -0.438 . . . . 74.42 110.375 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.24 -54.49 40.11 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-N 118.959 0.8 . . . . 74.53 109.467 175.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 58.7 mt -44.61 -58.69 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.24 0 C-N-CA 124.708 1.203 . . . . 72.4 109.876 175.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.5 mt -67.78 -14.3 62.83 Favored 'General case' 0 C--N 1.34 0.181 0 N-CA-C 115.87 1.804 . . . . 75.21 115.87 -171.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -99.83 12.89 35.55 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 120.013 1.278 . . . . 73.1 111.904 176.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -123.16 14.07 9.73 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.869 0.868 . . . . 71.43 112.067 -175.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 pp -148.97 -174.15 4.56 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.585 0.754 . . . . 74.54 111.942 -167.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -53.02 156.85 3.23 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 126.242 1.817 . . . . 74.12 112.514 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -67.92 163.24 36.4 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 121.875 1.717 . . . . 73.22 112.306 -176.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -64.02 142.69 82.36 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 123.118 2.545 . . . . 74.43 111.669 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.46 124.8 27.25 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.829 2.052 . . . . 74.14 107.398 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.9 t -89.18 151.25 22.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.059 -0.719 . . . . 75.33 109.059 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.7 mp -129.57 14.08 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 123.898 0.879 . . . . 73.13 110.84 -167.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 174.67 30.25 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 127.008 2.123 . . . . 74.52 108.186 -177.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.39 24.82 66.12 Favored Glycine 0 CA--C 1.534 1.24 0 O-C-N 119.304 -2.122 . . . . 74.1 112.617 -175.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.527 ' HZ2' ' ND2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -112.63 91.95 3.84 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 126.881 2.072 . . . . 73.3 109.378 171.641 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.27 121.11 13.5 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.122 -1.066 . . . . 75.44 108.122 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 35.3 mm -62.66 163.48 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 N-CA-C 108.057 -1.09 . . . . 75.54 108.057 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.12 160.38 37.97 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 107.519 -1.289 . . . . 75.42 107.519 166.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.8 t -121.3 143.78 32.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 108.003 -1.11 . . . . 73.4 108.003 -174.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -125.06 159.13 32.1 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 122.34 1.067 . . . . 75.4 108.977 153.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -114.94 93.74 4.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.008 -1.906 . . . . 74.53 105.948 168.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.83 70.38 10.35 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 106.596 -1.631 . . . . 75.21 106.596 170.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.9 tptp -82.83 75.77 9.71 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 107.61 -1.255 . . . . 64.41 107.61 176.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -51.65 119.86 9.25 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 107.682 -2.167 . . . . 75.23 107.682 172.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 C--O 1.253 1.26 0 C-N-CA 126.267 1.827 . . . . 72.14 107.078 -175.576 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.666 0 N-CA-C 110.68 -0.968 . . . . 73.45 110.68 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -125.24 -61.54 1.27 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 107.42 -1.326 . . . . 71.32 107.42 170.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.5 mtp -60.77 131.04 49.44 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 107.392 -1.336 . . . . 73.55 107.392 157.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 46.44 83.54 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 128.666 2.786 . . . . 71.22 111.987 158.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.8 m -132.95 107.78 8.5 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 106.084 -1.821 . . . . 64.22 106.084 172.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.6 mt -82.01 124.48 39.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 104.572 -2.381 . . . . 73.51 104.572 173.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 mp -99.35 136.63 29.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 124.229 1.011 . . . . 63.15 109.918 176.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mp -93.89 149.0 21.61 Favored 'General case' 0 N--CA 1.461 0.102 0 C-N-CA 126.565 1.946 . . . . 72.24 106.968 167.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.56 176.8 8.6 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 126.153 1.781 . . . . 73.12 107.704 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 56.9 t30 52.03 48.63 22.36 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 125.46 1.504 . . . . 75.41 110.51 -177.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.8 mt -94.02 128.13 40.21 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 107.589 -1.263 . . . . 74.12 107.589 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.413 ' HB2' ' HE2' ' A' ' 78' ' ' LYS . 2.7 m-20 -67.68 144.69 97.73 Favored Pre-proline 0 C--O 1.239 0.51 0 CA-C-O 117.492 -1.242 . . . . 74.51 107.805 173.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.92 -32.67 35.16 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 123.962 3.108 . . . . 74.15 112.446 -174.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -57.28 -32.03 66.21 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.236 0.615 . . . . 74.34 112.438 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.97 172.88 12.82 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 122.404 1.097 . . . . 73.13 111.763 -170.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.0 p -122.66 -86.98 0.64 Allowed 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.083 1.753 . . . . 74.31 107.214 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.7 tpt -163.62 -37.3 0.03 OUTLIER 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 126.756 2.022 . . . . 73.51 109.357 171.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -56.81 -48.43 77.98 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.33 1.052 . . . . 72.35 111.398 -172.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.57 24.51 0.58 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.757 1.623 . . . . 70.44 112.061 177.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.8 mt -123.48 -41.96 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 126.186 1.794 . . . . 73.55 108.511 166.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.4 mt -64.69 -14.71 59.56 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 120.043 1.292 . . . . 74.24 114.062 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -86.97 -14.7 64.2 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 119.653 1.115 . . . . 63.13 112.96 173.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -141.44 12.68 2.15 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 119.001 1.401 . . . . 75.42 114.604 -172.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.9 tp -127.48 19.31 6.82 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.699 1.199 . . . . 75.51 108.911 170.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -122.58 54.25 5.7 Favored Pre-proline 0 N--CA 1.449 -0.523 0 O-C-N 120.819 -1.175 . . . . 75.21 112.442 -174.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -74.38 -16.95 21.64 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 121.878 1.719 . . . . 74.41 113.375 170.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -137.37 -66.86 0.5 Allowed 'General case' 0 C--N 1.343 0.324 0 CA-C-N 119.597 1.089 . . . . 75.53 110.735 -177.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.51 127.12 31.74 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 107.243 -1.392 . . . . 74.55 107.243 171.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.7 t -134.02 82.5 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 106.934 -1.506 . . . . 73.53 106.934 -172.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -75.48 154.53 36.92 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.981 0.419 . . . . 74.15 111.633 -169.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.9 m -86.36 58.17 4.9 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.891 1.276 . . . . 72.32 110.372 174.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.5 t 58.21 -81.2 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 126.269 1.828 . . . . 73.35 113.16 171.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 t -62.96 -23.2 67.3 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 119.958 1.254 . . . . 71.23 113.231 -174.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -45.52 -35.6 3.99 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 120.475 1.488 . . . . 73.55 110.938 167.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.0 t -89.31 102.74 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 CA-C-O 121.688 0.756 . . . . 73.53 109.454 172.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.62 118.48 12.54 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.282 1.433 . . . . 74.32 108.905 165.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 23.6 t -122.29 115.48 46.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 126.41 1.884 . . . . 61.32 108.523 174.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.4 mt -87.54 150.33 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 125.097 1.359 . . . . 61.11 108.364 172.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.87 157.64 39.94 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 124.434 1.094 . . . . 74.33 109.108 167.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -73.61 168.32 19.56 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.939 0.876 . . . . 61.53 111.94 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -83.04 -51.46 7.53 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.235 1.414 . . . . 73.53 109.448 175.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -68.22 -60.66 2.3 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 119.224 0.92 . . . . 73.25 110.166 176.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 45.5 p -82.65 -19.92 37.29 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.986 -0.285 . . . . 63.22 110.771 -161.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 60.97 15.65 6.29 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.016 1.727 . . . . 72.23 112.307 -176.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.0 mt -108.43 157.68 18.2 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 125.538 1.535 . . . . 74.14 109.018 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -63.59 167.44 5.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 122.697 1.237 . . . . 62.45 113.873 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -84.02 -12.97 54.38 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.382 1.873 . . . . 74.45 112.322 -176.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.79 13.24 54.02 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 126.397 1.951 . . . . 53.24 113.409 -176.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -154.7 165.52 36.29 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 125.372 1.469 . . . . 74.35 109.355 176.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -152.6 168.06 26.83 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.236 1.414 . . . . 72.31 109.857 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -130.23 105.8 8.16 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 124.427 1.091 . . . . 73.33 110.261 -164.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.0 mt -75.19 143.33 13.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 124.891 1.276 . . . . 74.21 109.366 169.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -122.74 124.49 43.49 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 126.611 1.964 . . . . 73.12 107.175 170.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.9 mt -135.68 178.02 7.37 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.864 2.066 . . . . 74.52 108.533 178.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.5 m -60.92 159.15 11.82 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 123.591 0.756 . . . . 73.33 110.466 168.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.1 p -61.95 -30.83 71.18 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.811 0.844 . . . . 73.23 112.323 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.1 mm -87.73 -49.21 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 123.964 0.906 . . . . 71.25 109.637 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.19 -46.8 87.32 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 118.878 -0.582 . . . . 73.15 110.505 -172.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.1 -55.71 19.1 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.471 -0.566 . . . . 70.33 109.471 178.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.5 -57.75 10.63 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.058 0.943 . . . . 72.31 111.244 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -55.04 -53.42 56.01 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 123.407 0.683 . . . . 72.43 111.412 -173.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.18 -39.83 86.48 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.54 1.136 . . . . 73.25 109.562 -173.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.3 -42.09 85.88 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 118.067 -0.968 . . . . 74.53 110.455 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -59.24 -34.45 72.23 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.627 0.649 . . . . 74.45 111.167 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 29.1 mt -61.62 -55.61 23.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 N-CA-C 107.682 -1.229 . . . . 74.42 107.682 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -57.76 -14.44 5.81 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.659 1.584 . . . . 71.55 114.76 174.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -97.72 14.73 25.83 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 119.72 1.145 . . . . 62.35 112.041 177.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -144.16 13.9 1.64 Allowed 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 114.708 1.373 . . . . 73.14 114.708 -173.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.18 -163.5 1.39 Allowed 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.755 1.222 . . . . 75.55 112.758 -168.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -70.92 146.44 93.05 Favored Pre-proline 0 CA--C 1.548 0.878 0 O-C-N 122.086 -0.384 . . . . 75.44 110.364 175.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -66.93 169.49 14.75 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 124.283 3.322 . . . . 55.45 113.162 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -71.5 155.49 59.53 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.475 2.117 . . . . 73.15 113.744 -174.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.6 tt -75.33 119.75 19.86 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 128.201 2.601 . . . . 74.43 107.484 173.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.82 135.17 34.21 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.216 -0.927 . . . . 75.32 108.932 176.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.82 13.48 6.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 122.969 0.508 . . . . 75.15 110.938 -171.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -168.67 32.94 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.593 1.557 . . . . 74.12 109.653 177.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.11 21.48 66.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 120.827 -1.171 . . . . 72.55 114.142 -178.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.413 ' HE2' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -119.93 111.6 18.13 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 127.63 2.372 . . . . 74.43 108.134 174.143 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 50.3 m -84.13 125.49 32.21 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.809 -0.812 . . . . 75.22 108.809 177.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 19.8 mm -71.18 165.81 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 124.315 1.046 . . . . 75.32 109.77 -174.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.9 162.73 21.68 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 126.839 2.056 . . . . 75.35 109.422 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.4 t -103.52 143.09 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 125.498 1.519 . . . . 74.32 109.191 166.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -139.35 161.49 37.33 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.983 0.913 . . . . 72.53 109.468 155.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -135.06 95.58 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 125.195 1.398 . . . . 74.43 108.856 -173.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.08 85.09 6.91 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 107.543 -1.281 . . . . 43.15 107.543 169.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -101.13 69.92 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 128.256 2.622 . . . . 74.33 107.762 172.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -68.29 -15.43 67.86 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 118.894 -0.948 . . . . 50.05 112.813 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.253 1.246 0 CA-C-N 118.244 1.022 . . . . 70.35 109.935 -167.548 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.11 0 N-CA-C 111.282 -0.727 . . . . 73.31 111.282 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 51.7 m80 56.6 29.86 16.35 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.721 1.208 . . . . 75.04 111.473 -171.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 47.8 mtt -73.46 23.24 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 126.177 1.791 . . . . 75.42 111.793 177.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -173.29 84.72 0.05 Allowed 'General case' 0 N--CA 1.437 -1.124 0 CA-C-O 122.608 1.194 . . . . 74.14 110.942 -171.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -135.84 107.93 7.2 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.845 -1.169 . . . . 73.34 107.845 170.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.8 mt -85.93 143.77 10.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 104.519 -2.4 . . . . 72.41 104.519 157.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.5 mp -121.96 153.21 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 125.629 1.572 . . . . 74.21 107.124 175.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.7 mt -118.77 154.19 33.22 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.385 -0.968 . . . . 73.42 108.385 172.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.414 ' HB2' ' HB2' ' A' ' 81' ' ' ASN . 5.9 mtp-105 -135.32 165.6 25.08 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.063 0.945 . . . . 73.32 109.43 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 63.4 t30 64.46 41.4 5.67 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.113 1.365 . . . . 73.3 111.431 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.29 123.57 28.62 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 104.902 -2.259 . . . . 75.31 104.902 174.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -64.88 157.07 77.34 Favored Pre-proline 0 C--O 1.238 0.472 0 N-CA-C 108.302 -0.999 . . . . 64.24 108.302 171.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -70.42 -32.92 14.99 Favored 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 121.621 1.547 . . . . 75.51 110.382 -173.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -70.84 -16.86 62.74 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 125.412 1.485 . . . . 64.54 113.918 176.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.0 m -65.75 158.36 27.79 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.158 -0.682 . . . . 71.4 109.158 -177.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 p -135.32 158.74 43.6 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 104.628 -2.36 . . . . 72.24 104.628 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.9 ttp -57.18 -50.93 71.3 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 106.502 -1.666 . . . . 72.23 106.502 175.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -69.29 -37.6 77.91 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.795 0.838 . . . . 74.32 112.559 -172.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.82 -53.84 53.3 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 123.322 0.649 . . . . 74.34 110.083 171.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.1 mt -69.87 -34.49 60.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 108.294 -1.002 . . . . 74.34 108.294 -177.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.5 mt -62.09 -34.52 76.45 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 117.87 -1.062 . . . . 72.44 111.668 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.07 -25.62 40.0 Favored Glycine 0 CA--C 1.523 0.582 0 CA-C-O 118.974 -0.903 . . . . 74.23 113.437 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -110.58 -16.77 13.57 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 118.479 1.139 . . . . 74.45 113.839 -167.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.4 tp -110.75 40.17 2.07 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.932 1.293 . . . . 74.31 108.41 173.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.81 53.59 7.47 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 113.382 0.882 . . . . 73.35 113.382 -174.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -71.96 -33.2 10.13 Favored 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 121.264 1.309 . . . . 63.12 111.699 166.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -122.73 -23.94 4.98 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.062 0.945 . . . . 65.23 112.477 -166.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -135.67 117.79 15.44 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 119.121 0.873 . . . . 71.01 109.392 168.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.2 t -98.64 89.02 1.76 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 N-CA-C 105.841 -1.911 . . . . 70.25 105.841 172.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.0 mt -68.95 169.86 10.85 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 108.76 -0.829 . . . . 73.35 108.76 -177.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.7 m -98.0 158.39 15.57 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 120.879 -1.138 . . . . 71.15 109.511 165.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.7 m -60.22 -29.71 68.91 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.303 -0.873 . . . . 71.14 112.675 174.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.4 m -62.92 -26.78 68.96 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 119.3 0.955 . . . . 74.43 112.635 174.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -75.5 -26.82 58.46 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 119.273 0.942 . . . . 63.35 111.185 177.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.3 t -109.59 108.11 24.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 118.957 0.799 . . . . 73.22 110.675 -158.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.94 113.85 26.23 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 124.434 1.093 . . . . 74.43 108.846 178.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.0 t -117.43 110.7 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 106.487 -1.671 . . . . 72.23 106.487 174.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.1 mt -75.32 129.02 37.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 N-CA-C 107.631 -1.248 . . . . 73.44 107.631 175.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -111.23 146.51 36.82 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 126.417 1.887 . . . . 75.2 109.159 173.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -74.87 -178.51 3.76 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.175 0.59 . . . . 72.4 111.13 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -123.69 -25.92 4.24 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.858 1.263 . . . . 74.53 112.082 173.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.83 -56.54 3.43 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 107.06 -1.459 . . . . 74.34 107.06 173.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.6 p -78.52 -22.39 47.4 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 117.946 0.339 . . . . 74.13 110.816 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 57.38 13.45 1.78 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 128.89 2.876 . . . . 75.24 114.778 -169.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.9 mt -107.01 167.17 10.08 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 120.43 1.468 . . . . 73.51 110.213 -173.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.64 155.46 33.27 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.186 -0.946 . . . . 64.4 110.554 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -68.61 -13.2 62.19 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.852 1.056 . . . . 75.21 113.852 171.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.1 13.3 31.71 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 124.165 0.888 . . . . 61.42 114.274 170.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -142.4 173.28 11.67 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 127.501 2.32 . . . . 73.33 107.336 171.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -149.82 164.62 34.85 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 107.954 -1.128 . . . . 62.02 107.954 173.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -123.26 152.23 41.56 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.283 1.433 . . . . 75.15 107.206 176.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 51.5 mt -133.41 114.22 20.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 128.084 2.554 . . . . 73.32 104.762 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.36 107.04 17.82 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 104.365 -2.458 . . . . 74.43 104.365 -177.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 mt -109.9 -170.71 1.7 Allowed 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.334 1.054 . . . . 75.45 109.179 -175.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.82 160.18 32.25 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.481 -0.762 . . . . 62.22 110.046 158.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.8 p -54.65 -60.51 3.26 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 124.406 1.083 . . . . 72.22 110.261 176.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.9 mt -60.33 -47.78 90.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 124.921 1.289 . . . . 73.04 109.224 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -62.41 -44.96 95.19 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 118.706 0.685 . . . . 75.01 111.74 -172.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.87 -50.98 70.84 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.873 0.869 . . . . 72.42 109.029 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.42 -58.4 8.19 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 118.758 -0.639 . . . . 73.42 110.566 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -51.57 -60.22 3.39 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 125.777 1.631 . . . . 75.23 111.356 -174.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -55.7 -44.85 77.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.418 0.687 . . . . 74.22 109.622 -177.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.96 -36.27 83.41 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 118.996 -0.526 . . . . 75.01 111.511 -177.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -57.53 -45.27 85.24 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 108.826 -0.805 . . . . 73.05 108.826 177.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.5 mt -62.44 -48.81 86.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 N-CA-C 107.873 -1.158 . . . . 74.25 107.873 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.1 mt -58.23 -14.39 7.04 Favored 'General case' 0 C--N 1.342 0.241 0 N-CA-C 114.653 1.353 . . . . 74.03 114.653 177.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -110.5 14.48 22.5 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.243 0.929 . . . . 74.42 112.406 173.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -123.69 -14.85 7.17 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 126.56 1.944 . . . . 71.34 113.356 177.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.95 -170.22 1.63 Allowed 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 114.825 1.417 . . . . 74.31 114.825 -155.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.3 144.22 88.09 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 125.683 1.593 . . . . 72.14 111.784 171.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -71.41 154.7 60.74 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.635 2.223 . . . . 63.35 111.977 -168.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -66.55 134.89 37.1 Favored 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 122.595 2.196 . . . . 71.13 112.762 -167.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -68.62 119.34 12.9 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 127.458 2.303 . . . . 72.35 109.121 -175.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 t -82.48 145.9 29.55 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 109.054 -0.721 . . . . 72.44 109.054 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -130.27 14.16 2.23 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 122.843 0.457 . . . . 73.3 110.833 -174.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -168.54 37.07 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.921 1.288 . . . . 74.3 109.156 171.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.05 13.94 54.55 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 125.017 1.294 . . . . 72.13 114.768 -175.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.53 111.21 22.94 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 126.769 2.028 . . . . 71.43 108.647 175.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.43 110.05 6.56 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.206 -1.035 . . . . 72.03 108.206 174.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.9 mm -61.5 138.47 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 126.121 1.768 . . . . 71.34 108.192 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.414 ' HB2' ' HB2' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -93.36 164.12 13.34 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.285 1.834 . . . . 64.12 108.736 170.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.6 t -124.38 143.95 35.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 125.278 1.431 . . . . 74.14 107.216 170.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -130.78 165.04 23.83 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 126.167 1.787 . . . . 75.02 108.657 166.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -137.13 84.04 2.04 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 124.664 1.185 . . . . 73.41 110.468 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.99 61.39 5.24 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 108.983 -0.747 . . . . 75.41 108.983 176.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.56 93.19 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.433 1.093 . . . . 72.42 108.27 175.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.45 85.87 0.25 Allowed Glycine 0 C--N 1.335 0.496 0 N-CA-C 108.767 -1.733 . . . . 75.24 108.767 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.7 m . . . . . 0 C--O 1.252 1.214 0 C-N-CA 123.89 0.876 . . . . 74.31 109.992 -169.085 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.696 0 N-CA-C 111.164 -0.774 . . . . 73.24 111.164 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -154.81 142.4 19.77 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 126.599 1.96 . . . . 71.41 106.243 166.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -117.72 112.92 21.1 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 107.976 -1.12 . . . . 73.22 107.976 -174.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 59.53 85.97 0.1 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 127.344 2.258 . . . . 74.4 110.874 171.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 m -121.56 106.51 11.44 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.353 1.461 . . . . 73.4 107.223 -169.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.6 mt -78.74 129.49 37.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 105.537 -2.023 . . . . 73.02 105.537 174.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.4 mt -107.2 140.89 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 106.672 -1.603 . . . . 73.34 106.672 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.0 mt -107.73 155.1 20.56 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 108.882 -0.785 . . . . 70.12 108.882 165.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -139.55 171.21 14.57 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 127.524 2.33 . . . . 74.43 109.143 -170.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 66.5 t30 53.11 34.62 17.7 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.408 1.483 . . . . 74.22 110.33 -176.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.7 mt -77.61 112.96 14.96 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 106.233 -1.766 . . . . 72.1 106.233 176.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.424 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 1.0 OUTLIER -59.91 144.85 85.53 Favored Pre-proline 0 CA--C 1.515 -0.387 0 N-CA-C 106.253 -1.758 . . . . 65.24 106.253 -179.535 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -62.83 -30.27 77.45 Favored 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 121.609 1.54 . . . . 73.31 112.286 -175.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -74.82 -14.89 60.74 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 113.811 1.041 . . . . 73.2 113.811 175.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.0 m -76.54 160.25 29.63 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 121.377 -0.827 . . . . 73.13 109.335 172.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.13 172.87 12.39 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 127.053 2.141 . . . . 74.4 107.535 159.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -55.7 -32.72 63.55 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-O 118.371 -0.823 . . . . 75.32 109.552 170.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.82 -28.59 69.96 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 119.204 0.911 . . . . 62.54 110.625 -174.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.5 m -78.46 -58.77 3.08 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.02 0.928 . . . . 71.44 109.11 172.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.8 mt -59.01 -43.87 89.91 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.464 0 C-N-CA 123.781 0.832 . . . . 73.44 110.048 -171.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.1 mt -70.88 -14.77 62.51 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 124.154 0.982 . . . . 75.12 113.529 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.66 -17.88 50.39 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 118.93 -0.928 . . . . 64.23 112.815 176.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.72 -14.19 4.11 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.751 1.221 . . . . 65.1 113.339 -168.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.18 30.69 4.98 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 126.103 1.761 . . . . 73.51 109.503 -178.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -122.24 55.05 6.03 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 124.141 0.976 . . . . 72.42 112.777 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.475 ' HG2' ' CD1' ' A' ' 27' ' ' TYR . 84.3 Cg_endo -79.29 -24.64 6.42 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 122.222 1.948 . . . . 71.41 112.172 165.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.475 ' CD1' ' HG2' ' A' ' 26' ' ' PRO . 62.4 m-85 -122.09 -51.99 1.98 Allowed 'General case' 0 C--N 1.344 0.363 0 C-N-CA 124.529 1.132 . . . . 74.42 111.496 -169.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.86 117.81 35.08 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 107.648 -1.242 . . . . 44.23 107.648 175.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.8 t -130.85 77.04 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 107.307 -1.368 . . . . 75.43 107.307 -161.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -77.52 160.82 28.37 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.652 -0.704 . . . . 72.43 111.735 -168.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.98 24.46 1.29 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.599 1.96 . . . . 73.41 111.069 178.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.3 m 61.65 -49.43 0.14 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.589 2.356 . . . . 75.34 115.782 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 p -58.6 -26.45 63.68 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 121.468 1.94 . . . . 73.11 111.972 175.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -60.69 -24.68 65.82 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-O 118.249 -0.881 . . . . 73.43 111.514 174.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.6 t -104.97 94.55 3.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 C-N-CA 124.922 1.289 . . . . 72.24 108.89 -166.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.46 86.58 0.11 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.307 1.443 . . . . 74.42 110.174 174.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.9 t -92.63 89.57 2.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 126.123 1.769 . . . . 72.42 107.07 169.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.409 HD11 ' H ' ' A' ' 38' ' ' ILE . 0.6 OUTLIER -72.08 121.78 23.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 N-CA-C 107.61 -1.255 . . . . 72.14 107.61 175.658 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.28 155.26 36.86 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 120.707 -0.397 . . . . 73.2 110.816 170.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -70.58 165.78 22.03 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.774 1.229 . . . . 71.12 110.123 165.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -113.87 14.25 18.54 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 114.049 1.129 . . . . 74.21 114.049 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -127.75 -51.43 1.35 Allowed 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 119.138 0.881 . . . . 72.42 108.74 170.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.1 p -77.04 -19.66 56.9 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.855 0.317 . . . . 65.1 111.855 -176.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 62.47 15.72 8.05 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.755 2.022 . . . . 74.21 113.107 -171.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.5 mt -94.54 -169.16 1.98 Allowed 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 125.641 1.576 . . . . 74.23 109.292 178.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -96.65 164.57 12.53 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.114 0.87 . . . . 74.42 110.146 175.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -83.3 13.5 4.25 Favored 'General case' 0 CA--C 1.555 1.172 0 N-CA-C 114.068 1.136 . . . . 74.2 114.068 -170.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.84 13.16 65.89 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 128.072 2.749 . . . . 71.43 116.294 -176.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -150.94 167.48 27.45 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 120.819 -1.4 . . . . 71.13 108.638 167.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.25 155.66 35.61 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 123.943 0.897 . . . . 63.41 109.436 173.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -116.94 120.43 38.4 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 125.679 1.592 . . . . 74.12 108.013 -169.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.42 ' C ' HE21 ' A' ' 53' ' ' GLN . 31.1 mt -82.18 141.42 15.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 C-N-CA 125.222 1.409 . . . . 72.01 107.717 167.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.42 HE21 ' C ' ' A' ' 52' ' ' ILE . 0.5 OUTLIER -129.59 79.39 1.91 Allowed 'General case' 0 C--O 1.239 0.551 0 C-N-CA 125.545 1.538 . . . . 74.03 107.24 170.817 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.0 mt -71.47 177.2 4.13 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.894 1.278 . . . . 75.21 109.768 165.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.12 155.25 3.71 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 108.608 -0.886 . . . . 75.03 108.608 159.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.8 p -58.02 -52.83 63.89 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.529 0.68 . . . . 74.31 111.429 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.6 mm -69.99 -40.58 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 122.926 0.491 . . . . 74.43 109.728 -176.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.96 -52.87 63.71 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.827 -0.805 . . . . 74.03 108.827 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.13 -53.28 28.63 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.591 1.156 . . . . 50.14 110.598 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.79 -39.96 95.5 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 112.703 0.631 . . . . 70.21 112.703 -175.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -66.09 -58.97 4.27 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.336 1.055 . . . . 74.3 109.315 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.444 HD13 ' CD2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -59.5 -41.98 91.13 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.258 1.023 . . . . 74.41 110.117 -171.186 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.3 tp -53.15 -45.91 68.62 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 121.913 -0.492 . . . . 74.41 110.722 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -69.59 -24.03 63.61 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 118.196 0.453 . . . . 72.11 111.963 -173.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.66 -60.29 2.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 106.51 -1.663 . . . . 71.32 106.51 164.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.444 ' CD2' HD13 ' A' ' 62' ' ' LEU . 2.8 mm? -60.47 -17.28 43.95 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 114.575 1.324 . . . . 72.12 114.575 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -100.68 13.34 35.13 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.397 0.999 . . . . 72.3 112.295 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -154.38 -14.43 0.13 Allowed 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 114.709 1.374 . . . . 64.01 114.709 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -162.7 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.709 2.004 . . . . 62.44 113.645 175.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -65.68 145.86 99.01 Favored Pre-proline 0 CA--C 1.54 0.573 0 N-CA-C 113.245 0.832 . . . . 71.3 113.245 169.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -66.71 160.99 43.77 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 123.266 2.644 . . . . 72.13 112.239 -170.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -67.33 158.71 55.7 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.548 2.165 . . . . 74.32 112.481 -174.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.2 tt -112.76 122.96 49.2 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 126.179 1.791 . . . . 72.51 107.896 -168.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.5 t -77.22 141.9 39.82 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.438 0.695 . . . . 70.5 110.347 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -130.14 14.47 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 124.607 1.163 . . . . 74.5 110.529 -178.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -167.7 24.65 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.6 1.16 . . . . 65.4 110.673 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.93 24.84 76.7 Favored Glycine 0 CA--C 1.532 1.109 0 O-C-N 121.297 -0.877 . . . . 73.52 114.851 -174.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.424 ' HE3' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -125.58 119.98 29.58 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 126.726 2.01 . . . . 74.13 109.741 174.264 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.7 m -78.05 116.1 18.27 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 119.58 1.082 . . . . 74.44 108.463 172.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.4 mm -58.91 160.45 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 124.025 0.93 . . . . 73.32 109.7 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -126.27 155.56 41.71 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 125.298 1.439 . . . . 73.22 107.799 171.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.3 t -119.95 144.62 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 C-N-CA 125.496 1.518 . . . . 71.33 107.96 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -141.5 169.91 16.7 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 127.644 2.377 . . . . 73.41 107.623 176.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -126.09 158.42 35.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 106.351 -1.722 . . . . 74.41 106.351 169.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -145.92 73.56 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 105.984 -1.858 . . . . 72.24 105.984 168.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.3 96.1 9.41 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 106.729 -1.582 . . . . 70.23 106.729 -176.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.0 82.91 0.96 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 109.634 -1.386 . . . . 53.12 109.634 176.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.4 m . . . . . 0 C--O 1.246 0.891 0 CA-C-O 117.751 -1.119 . . . . 73.01 108.256 162.605 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.039 0 CA-C-O 119.139 -0.812 . . . . 74.02 111.29 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -70.28 65.67 0.28 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.751 2.02 . . . . 72.31 111.003 -177.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 55.8 mtt -61.61 149.22 39.92 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.061 -1.024 . . . . 74.32 108.505 167.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 43.88 84.08 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 128.537 2.735 . . . . 74.04 110.92 165.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.8 m -117.67 109.09 16.22 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 111.144 -2.753 . . . . 64.02 107.971 176.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mt -74.77 126.65 35.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 106.05 -1.833 . . . . 74.33 106.05 163.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.6 mt -98.79 135.89 31.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 N-CA-C 107.194 -1.41 . . . . 74.04 107.194 172.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.4 mt -87.99 160.03 18.05 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.707 0.803 . . . . 74.2 109.978 168.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -137.16 172.7 12.61 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.368 -0.832 . . . . 74.3 109.485 170.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 62.7 t30 58.39 46.01 15.94 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 125.761 1.624 . . . . 64.14 111.513 176.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 43.3 mt -85.6 119.44 25.94 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 106.859 -1.534 . . . . 74.2 106.859 171.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.428 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 5.2 m-20 -62.48 158.44 49.12 Favored Pre-proline 0 C--O 1.236 0.379 0 N-CA-C 108.817 -0.808 . . . . 74.12 108.817 163.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -82.22 -15.64 8.87 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 124.211 3.274 . . . . 74.11 112.703 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.84 -14.21 61.46 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.364 1.866 . . . . 71.34 112.076 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.2 m -108.42 154.35 22.0 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.257 1.423 . . . . 74.13 108.007 165.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.1 t -123.56 -57.82 1.63 Allowed 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 106.497 -1.668 . . . . 70.43 106.497 173.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 27.5 ttm -157.71 -56.38 0.08 Allowed 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 123.087 0.555 . . . . 74.32 110.557 -175.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.54 -23.06 66.17 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.314 1.046 . . . . 65.22 112.824 -173.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 t -95.21 24.76 4.73 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.305 1.842 . . . . 74.4 110.216 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mt -137.38 -48.69 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 124.908 1.283 . . . . 73.21 107.827 176.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -52.75 -44.32 66.37 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-O 118.777 -0.63 . . . . 74.32 112.45 -168.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.64 24.89 27.42 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 124.967 1.27 . . . . 73.01 112.698 -174.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.95 -40.32 0.44 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.994 1.317 . . . . 70.4 109.882 178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.6 tp -81.29 19.4 0.96 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.818 1.647 . . . . 73.33 110.994 173.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.68 61.9 1.27 Allowed Pre-proline 0 CA--C 1.541 0.603 0 C-N-CA 124.243 1.017 . . . . 71.3 112.158 175.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -85.68 -18.13 3.91 Favored 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 123.155 2.57 . . . . 73.41 113.841 163.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -124.15 -65.01 1.09 Allowed 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 121.214 1.824 . . . . 73.44 110.219 -177.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.89 114.52 28.78 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 125.585 1.554 . . . . 71.43 108.153 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.5 t -84.86 105.44 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 N-CA-C 106.908 -1.516 . . . . 72.1 106.908 173.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.6 mt -78.6 163.75 25.24 Favored 'General case' 0 N--CA 1.464 0.246 0 O-C-N 121.325 -0.86 . . . . 70.34 111.801 -177.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.74 24.45 10.57 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.373 1.069 . . . . 62.03 112.015 -177.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.4 t 73.07 -56.4 0.66 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.587 1.555 . . . . 71.31 113.007 164.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 p -60.71 -30.68 70.1 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.529 1.531 . . . . 72.4 111.927 174.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -51.05 -31.99 20.39 Favored 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 125.318 1.447 . . . . 72.41 110.533 171.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.5 t -94.81 101.53 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 C-N-CA 124.553 1.141 . . . . 72.34 108.495 -165.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.0 111.96 19.75 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 125.872 1.669 . . . . 73.23 108.591 170.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.8 t -113.36 102.2 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 127.462 2.305 . . . . 70.33 107.693 171.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 49.4 mt -62.97 138.66 22.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 107.282 -1.377 . . . . 72.2 107.282 164.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 46' ' ' ASN . 43.7 mttt -126.81 149.27 49.78 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 107.781 -1.192 . . . . 72.04 107.781 178.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -44.39 -86.77 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.555 1.542 . . . . 71.4 113.486 -177.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.6 mttp 172.41 -55.77 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 127.828 2.451 . . . . 71.12 105.461 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.9 -38.54 8.19 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 113.888 -1.506 . . . . 72.02 109.715 -166.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.5 p -77.98 -14.06 59.66 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 120.875 0.369 . . . . 70.44 111.961 -171.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 56.3 14.52 1.6 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 127.186 2.195 . . . . 73.13 113.262 -167.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.4 mt -89.93 179.5 5.95 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.989 1.716 . . . . 73.02 111.36 174.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 8.2 p30 -114.65 165.11 13.14 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.631 1.572 . . . . 72.14 110.916 -174.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -79.29 -14.8 58.79 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.04 1.336 . . . . 71.4 112.446 -175.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.4 12.93 34.38 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 125.526 1.536 . . . . 53.42 114.73 174.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -148.96 159.33 44.31 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 125.352 1.461 . . . . 63.11 108.136 173.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -139.28 165.65 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 123.945 0.898 . . . . 63.03 108.747 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -121.34 137.94 54.48 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.408 -1.701 . . . . 74.31 106.408 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.7 mt -139.82 122.1 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 127.21 2.204 . . . . 74.0 107.852 -172.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.9 152.13 48.88 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 119.079 0.854 . . . . 74.4 111.222 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.2 mt -137.13 -174.49 3.75 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.513 2.325 . . . . 71.31 109.254 -168.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.74 155.74 15.33 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.38 1.072 . . . . 73.23 109.795 165.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.1 p -61.93 -49.36 76.45 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.734 0.778 . . . . 73.21 112.742 -169.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 74.2 mt -67.29 -46.65 83.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 124.128 0.971 . . . . 74.14 109.816 174.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.08 -48.33 82.18 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 124.278 1.031 . . . . 73.43 110.959 -171.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.99 -58.76 4.79 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.943 1.297 . . . . 74.2 110.071 176.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.35 -41.58 96.69 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.875 0.87 . . . . 72.24 111.492 -174.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -58.74 -57.65 12.08 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.504 -0.747 . . . . 73.02 109.842 176.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.405 HD11 ' CD2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -62.24 -42.04 98.96 Favored 'General case' 0 N--CA 1.455 -0.208 0 O-C-N 123.644 0.59 . . . . 73.22 109.593 -173.868 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.7 tp -53.2 -44.32 67.87 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 122.676 0.391 . . . . 71.3 110.849 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -65.92 -28.3 68.83 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 117.842 0.292 . . . . 74.42 111.553 -176.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 74.5 mt -60.59 -55.6 23.37 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 N-CA-C 108.102 -1.073 . . . . 74.2 108.102 170.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.405 ' CD2' HD11 ' A' ' 62' ' ' LEU . 3.6 mm? -56.11 -16.04 4.55 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.482 1.113 . . . . 73.11 113.86 176.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -107.8 20.71 18.43 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.409 1.483 . . . . 72.11 111.967 178.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -139.98 -30.7 0.68 Allowed 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.755 1.222 . . . . 63.33 113.868 175.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.97 -162.15 0.91 Allowed 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 114.029 1.122 . . . . 74.23 114.029 -164.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -76.89 152.04 82.43 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 126.961 2.104 . . . . 73.1 112.985 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.16 161.04 35.82 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 123.612 2.875 . . . . 72.13 113.391 -165.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -73.66 145.12 36.56 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 122.852 2.368 . . . . 65.23 113.032 -172.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.52 118.23 5.81 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 126.676 1.99 . . . . 71.0 109.331 168.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.17 150.34 31.72 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 124.346 1.058 . . . . 73.32 108.289 170.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.69 14.16 4.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 124.125 0.97 . . . . 72.34 110.91 -176.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -174.53 34.52 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.901 1.28 . . . . 73.12 110.464 -177.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.2 14.84 55.27 Favored Glycine 0 CA--C 1.538 1.484 0 O-C-N 120.303 -1.498 . . . . 44.51 114.896 -174.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.428 ' HE3' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -111.28 110.95 21.68 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 126.507 1.923 . . . . 73.11 109.911 172.348 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.58 119.65 19.07 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.055 -0.72 . . . . 65.24 109.055 172.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 22.9 mm -69.19 150.59 10.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 123.637 0.775 . . . . 74.32 109.775 -177.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.44 172.38 6.92 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.017 0.927 . . . . 65.42 112.115 174.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.0 t -126.58 152.77 34.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 125.894 1.678 . . . . 61.32 107.807 -174.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -155.64 172.72 17.82 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 127.808 2.443 . . . . 72.41 107.339 171.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -140.86 92.8 2.53 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 123.353 0.661 . . . . 73.42 109.238 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.47 68.97 9.13 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 122.348 1.07 . . . . 65.24 108.294 168.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -73.87 83.28 1.68 Allowed 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 106.544 -1.65 . . . . 72.3 106.544 167.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.24 -77.74 0.27 Allowed Glycine 0 C--N 1.335 0.474 0 N-CA-C 107.832 -2.107 . . . . 73.24 107.832 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.044 0 C-N-CA 125.344 1.458 . . . . 64.41 113.086 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.881 0 CA-C-O 118.93 -0.928 . . . . 63.31 111.32 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 51.63 44.14 29.36 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.767 1.627 . . . . 75.24 113.428 -176.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.09 162.67 13.84 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.897 1.679 . . . . 63.41 107.432 162.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.272 0.0 OUTLIER 43.03 84.03 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.794 0 C-N-CA 128.384 2.674 . . . . 73.22 111.884 160.365 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.5 m -138.87 123.49 18.52 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 112.456 -2.156 . . . . 72.24 107.814 -172.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.9 mt -95.79 110.49 24.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 N-CA-C 105.033 -2.21 . . . . 71.02 105.033 175.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.0 mp -85.71 156.28 3.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.55 -0.907 . . . . 75.1 108.55 173.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.8 mp -122.93 156.08 35.42 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 125.645 1.578 . . . . 73.1 107.254 174.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -140.76 171.53 13.97 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.33 0.968 . . . . 74.21 109.928 175.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.3 t30 61.41 37.39 16.83 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.49 1.516 . . . . 72.42 111.776 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.84 131.25 39.6 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 105.067 -2.197 . . . . 73.54 105.067 169.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.427 ' HB2' ' HE2' ' A' ' 78' ' ' LYS . 1.4 m-20 -70.26 146.73 94.84 Favored Pre-proline 0 N--CA 1.471 0.594 0 CA-C-O 116.901 -1.524 . . . . 71.51 107.437 172.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -62.61 -18.69 65.06 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 123.46 2.773 . . . . 74.4 113.274 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -60.66 -39.19 87.47 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.497 1.119 . . . . 73.32 112.599 173.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.1 p -70.66 158.68 35.79 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.045 0.384 . . . . 73.5 111.824 -170.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.0 p -107.23 -86.13 0.5 Allowed 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 107.603 -1.258 . . . . 74.51 107.603 166.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 37.6 ttp -161.13 -68.48 0.06 Allowed 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 106.476 -1.676 . . . . 74.23 106.476 -164.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.46 -29.58 70.27 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 118.067 0.394 . . . . 73.42 111.019 -174.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 p -64.73 -24.41 67.56 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.259 1.823 . . . . 73.13 113.457 172.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.4 mt -85.9 -47.28 16.66 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.271 0 C-N-CA 124.701 1.2 . . . . 73.53 109.119 171.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.83 -36.39 64.96 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 119.087 0.858 . . . . 71.4 110.776 -175.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.82 -14.18 64.98 Favored Glycine 0 CA--C 1.534 1.233 0 CA-C-O 117.941 -1.477 . . . . 71.5 115.088 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.59 14.95 2.54 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.868 1.834 . . . . 64.5 113.392 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 tp -131.76 21.22 4.61 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.163 0.985 . . . . 73.54 111.107 172.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -126.87 58.88 31.63 Favored Pre-proline 0 CA--C 1.541 0.603 0 O-C-N 120.598 -1.314 . . . . 71.12 112.273 -174.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.92 -37.78 2.64 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 122.278 1.985 . . . . 73.31 113.306 178.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -123.98 -25.26 4.25 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.906 0.776 . . . . 74.03 112.737 -171.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.67 109.03 10.97 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 108.291 -1.003 . . . . 72.42 108.291 172.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.5 t -97.21 108.69 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 107.294 -1.373 . . . . 74.32 107.294 171.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -80.87 161.46 24.4 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 122.872 0.469 . . . . 73.21 110.093 172.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 t -74.05 36.47 0.1 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.001 1.721 . . . . 74.33 112.666 176.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t 59.97 -73.72 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.471 1.908 . . . . 70.14 111.929 -172.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.7 t -55.7 -28.53 56.19 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 126.487 1.915 . . . . 73.14 113.984 -172.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -54.4 -29.41 48.86 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 124.361 1.064 . . . . 71.22 111.357 172.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.2 t -81.39 93.68 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 C-N-CA 125.413 1.485 . . . . 73.21 108.281 168.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.05 114.33 2.53 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 120.819 -1.175 . . . . 72.11 108.819 166.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.0 t -112.68 126.83 70.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 125.082 1.353 . . . . 75.51 107.894 164.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.9 mt -87.25 127.74 40.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 N-CA-C 106.118 -1.808 . . . . 73.12 106.118 165.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -98.81 147.24 25.12 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 106.703 -1.591 . . . . 75.44 106.703 166.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.98 -24.73 67.83 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.461 0.648 . . . . 74.53 110.583 175.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt 74.55 -56.99 0.62 Allowed 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 129.09 2.956 . . . . 72.34 111.42 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -61.77 -36.42 80.99 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 119.511 1.05 . . . . 74.23 111.483 -172.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.5 p -94.28 -12.84 27.29 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 126.035 1.734 . . . . 74.54 111.88 -176.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 70.92 -15.15 0.41 Allowed 'General case' 0 C--N 1.344 0.358 0 C-N-CA 128.628 2.771 . . . . 73.41 114.318 -163.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.1 mt -69.68 172.01 8.15 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 124.288 1.035 . . . . 74.33 110.835 -173.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -101.25 170.13 8.45 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.434 1.093 . . . . 63.12 112.051 170.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -90.49 -14.04 33.52 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.784 0.834 . . . . 75.43 112.612 -176.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.0 13.8 22.51 Favored Glycine 0 CA--C 1.528 0.845 0 CA-C-N 118.955 0.798 . . . . 74.21 113.886 164.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -149.71 170.13 19.42 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 126.602 1.961 . . . . 73.21 107.448 177.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.31 173.42 16.19 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.283 -0.885 . . . . 63.31 108.949 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -139.75 104.89 5.01 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 124.336 1.054 . . . . 74.23 108.303 -172.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.8 mt -70.35 141.78 16.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 120.02 1.282 . . . . 74.34 109.769 165.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -116.23 137.7 51.92 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 107.837 -1.171 . . . . 75.3 107.837 162.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.5 mt -142.17 173.51 11.45 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.44 1.896 . . . . 73.24 108.393 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.15 157.77 2.48 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.98 0.912 . . . . 75.33 110.24 167.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 m -57.42 -57.39 12.87 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.018 0.927 . . . . 74.31 110.852 -171.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.2 mt -70.28 -41.68 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-O 118.335 -0.841 . . . . 72.41 110.317 177.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -57.78 -49.8 75.39 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 119.444 1.02 . . . . 74.33 111.639 -176.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.29 -55.11 11.45 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.151 0.981 . . . . 74.02 109.952 174.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.4 -39.45 85.55 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 112.998 0.74 . . . . 71.14 112.998 -175.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -64.66 -62.25 1.7 Allowed 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 124.108 0.963 . . . . 74.45 109.166 178.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -39.52 75.3 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.967 0.907 . . . . 74.43 109.704 -170.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 tp -52.19 -49.5 63.75 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 119.279 -0.391 . . . . 72.43 110.658 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -61.64 -31.4 71.49 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.367 0.667 . . . . 74.01 111.287 -176.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.6 mt -59.98 -59.01 4.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 106.92 -1.511 . . . . 73.32 106.92 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -58.0 -32.18 67.66 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.185 0.994 . . . . 74.15 111.92 176.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -81.02 13.59 2.66 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.881 0.872 . . . . 74.13 112.842 -177.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -136.06 -37.82 0.71 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.66 1.184 . . . . 71.12 112.3 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 pp -74.38 -175.03 2.19 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.562 0.619 . . . . 74.35 111.076 171.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -48.26 160.73 0.41 Allowed Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 126.241 1.816 . . . . 74.21 112.985 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -65.6 168.34 15.06 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.392 2.061 . . . . 74.25 113.312 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.51 167.78 26.12 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.406 2.737 . . . . 61.24 112.84 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.442 HD21 ' H ' ' A' ' 74' ' ' THR . 0.2 OUTLIER -84.81 -179.09 7.02 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 127.46 2.304 . . . . 72.32 111.031 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.442 ' H ' HD21 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -143.18 160.7 39.94 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 128.734 2.814 . . . . 74.42 105.38 176.287 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.2 mp -134.64 12.59 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 C-N-CA 123.553 0.741 . . . . 71.42 110.163 174.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.447 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 0.6 OUTLIER -174.87 34.67 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 O-C-N 120.459 -1.401 . . . . 72.2 109.571 -165.298 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.12 14.65 47.61 Favored Glycine 0 CA--C 1.535 1.334 0 O-C-N 120.764 -1.21 . . . . 45.42 115.433 -177.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.447 ' HE3' ' HB2' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -112.27 99.81 8.32 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 126.83 2.052 . . . . 72.12 110.214 177.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 m -63.96 116.03 5.46 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.354 -0.98 . . . . 63.51 108.354 174.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.7 mm -62.37 157.51 3.69 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 N-CA-C 108.439 -0.948 . . . . 71.21 108.439 -178.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -116.51 162.89 16.9 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 123.501 0.72 . . . . 72.23 109.781 168.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 23.2 t -124.67 143.53 37.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 125.735 1.614 . . . . 71.42 106.69 -176.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -142.26 167.08 22.96 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 125.87 1.668 . . . . 74.42 108.85 177.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -146.91 99.32 3.17 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 124.153 0.981 . . . . 72.22 110.207 -174.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.34 78.73 1.77 Allowed 'General case' 0 C--O 1.237 0.417 0 N-CA-C 107.257 -1.386 . . . . 75.22 107.257 174.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -87.06 96.88 10.45 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 107.957 -1.127 . . . . 71.1 107.957 -176.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -51.95 104.81 0.18 Allowed Glycine 0 CA--C 1.527 0.785 0 N-CA-C 109.809 -1.316 . . . . 52.21 109.809 163.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.253 1.272 0 N-CA-C 104.859 -2.274 . . . . 62.4 104.859 161.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.341 0 N-CA-C 109.284 -1.527 . . . . 60.2 109.284 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -141.77 -60.04 0.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 107.321 -1.363 . . . . 61.43 107.321 172.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.27 24.7 ptp 53.42 -164.29 0.09 Allowed 'General case' 0 CA--C 1.541 0.611 0 O-C-N 124.543 1.152 . . . . 75.4 110.924 175.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 50.97 89.56 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 128.114 2.566 . . . . 73.4 114.033 161.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -120.96 138.2 54.25 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 113.871 -1.513 . . . . 75.43 107.874 175.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.3 mt -115.52 116.8 53.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 105.001 -2.222 . . . . 75.1 105.001 170.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.1 mt -99.22 135.51 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 106.707 -1.59 . . . . 75.34 106.707 -175.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.6 mt -104.76 155.71 18.65 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 124.0 0.92 . . . . 73.43 109.403 174.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.45 179.78 6.47 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.345 1.458 . . . . 74.5 107.903 170.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.0 t30 53.57 39.66 30.38 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 125.1 1.36 . . . . 73.54 111.701 -174.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.27 130.16 39.6 Favored 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 104.377 -2.453 . . . . 72.34 104.377 162.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -68.35 146.7 98.03 Favored Pre-proline 0 C--O 1.241 0.655 0 N-CA-C 106.052 -1.832 . . . . 60.53 106.052 164.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -73.28 -20.92 20.66 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 122.641 2.228 . . . . 75.1 112.067 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -78.79 13.56 1.65 Allowed 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.174 0.897 . . . . 75.33 112.934 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -122.46 177.9 5.2 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.293 1.837 . . . . 64.44 111.21 170.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.55 -85.87 0.57 Allowed 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.232 1.413 . . . . 73.54 108.174 -177.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.1 ptp -156.68 -50.74 0.08 Allowed 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 119.656 1.116 . . . . 74.1 109.218 174.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -56.49 -33.53 66.08 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.297 1.039 . . . . 61.54 110.201 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -30.65 68.32 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.955 2.102 . . . . 71.4 113.197 177.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 70.1 mt -100.97 -51.65 9.34 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 C-N-CA 127.706 2.403 . . . . 73.54 107.478 -171.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.1 mt -51.0 -37.04 42.64 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 125.649 1.58 . . . . 75.23 112.275 -175.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.79 -13.94 72.42 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-O 118.559 -1.134 . . . . 73.41 114.104 -178.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -133.52 14.08 4.1 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.746 1.273 . . . . 71.51 111.607 178.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.4 tp -122.65 30.92 6.27 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 124.78 1.232 . . . . 75.22 107.778 174.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.28 54.42 8.21 Favored Pre-proline 0 CA--C 1.536 0.405 0 C-N-CA 124.418 1.087 . . . . 74.14 113.032 -176.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -71.78 -18.25 28.57 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 121.803 1.668 . . . . 64.5 113.536 173.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -142.06 -24.04 0.68 Allowed 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 120.099 1.318 . . . . 75.41 113.915 -175.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -134.7 138.87 44.78 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 125.028 1.331 . . . . 73.43 107.455 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 t -129.06 94.99 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 105.888 -1.893 . . . . 74.52 105.888 -168.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 40.5 mt -89.04 160.18 17.21 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.954 0.902 . . . . 75.4 110.834 -165.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 m -98.68 23.54 8.57 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.521 -0.737 . . . . 64.02 112.758 -166.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 m 58.18 -45.8 0.05 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 127.585 2.354 . . . . 75.14 115.122 -167.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 p -58.56 -29.65 66.54 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 120.785 1.629 . . . . 74.41 111.95 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -57.74 -23.72 53.39 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 125.554 1.542 . . . . 75.41 112.65 173.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.6 t -108.86 99.09 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 123.909 0.884 . . . . 72.14 109.141 -164.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -64.38 104.24 0.75 Allowed 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.798 0.839 . . . . 75.43 109.692 172.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.3 t -110.75 91.45 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.12 0 C-N-CA 126.465 1.906 . . . . 72.3 108.044 172.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.9 mt -65.46 144.95 14.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 N-CA-C 106.377 -1.712 . . . . 75.35 106.377 164.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -123.03 159.46 28.37 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 124.328 1.051 . . . . 75.25 109.657 169.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.32 161.34 25.26 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.833 -1.076 . . . . 74.43 109.949 174.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -96.18 -19.9 19.0 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.353 0.871 . . . . 75.12 113.353 176.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -102.88 -36.52 8.2 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 117.972 -1.013 . . . . 75.13 108.938 -165.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.403 HG23 ' H ' ' A' ' 45' ' ' LEU . 13.7 t -103.43 -14.49 16.22 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 118.547 0.612 . . . . 64.45 111.419 173.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.6 mm-40 70.49 -12.73 0.51 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.253 1.421 . . . . 75.52 114.084 -168.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.403 ' H ' HG23 ' A' ' 43' ' ' THR . 84.9 mt -56.44 150.67 14.61 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 120.146 1.339 . . . . 75.24 111.739 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.4 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 8.8 p30 -63.54 160.95 15.49 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 108.918 -0.771 . . . . 71.41 108.918 170.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -76.26 -12.83 60.15 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.545 1.313 . . . . 75.2 114.545 -171.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.76 13.3 44.21 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 125.954 1.74 . . . . 71.4 112.641 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -152.69 165.75 34.3 Favored 'General case' 0 C--O 1.241 0.654 0 C-N-CA 125.948 1.699 . . . . 75.24 108.562 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -151.61 167.99 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 124.116 0.966 . . . . 75.12 109.497 175.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -131.62 108.05 9.25 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 106.943 -1.503 . . . . 75.31 106.943 -176.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.3 mt -73.43 133.46 31.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 N-CA-C 107.107 -1.442 . . . . 75.3 107.107 169.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.88 91.0 3.49 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 104.582 -2.377 . . . . 74.51 104.582 163.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.1 mt -81.25 178.85 8.13 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.028 -1.101 . . . . 75.22 108.028 163.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 t -71.7 173.24 8.41 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.723 -0.611 . . . . 75.4 109.53 164.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.9 p -58.43 -66.97 0.4 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.335 1.054 . . . . 73.54 110.936 -175.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.0 mm -63.92 -39.01 83.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 123.787 0.835 . . . . 75.13 109.305 -176.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.58 -52.2 64.56 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.555 1.142 . . . . 71.52 109.82 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.43 -50.95 69.48 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.391 1.077 . . . . 74.22 109.891 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.14 -52.1 66.65 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.779 0.831 . . . . 61.31 110.87 -174.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -59.56 -55.87 29.05 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 118.63 -0.7 . . . . 75.4 109.35 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -53.1 -48.06 68.1 Favored 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 123.772 0.829 . . . . 75.34 110.687 -174.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 tp -56.36 -55.25 35.85 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 122.899 0.48 . . . . 74.53 109.801 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -64.49 -33.99 77.18 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.266 0.626 . . . . 74.4 110.958 -174.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 36.3 mt -59.53 -63.38 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 123.755 0.822 . . . . 72.22 109.926 169.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.3 mt -54.08 -37.57 64.38 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.77 1.168 . . . . 74.21 112.527 -176.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -78.02 14.59 1.09 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.881 0.872 . . . . 70.54 112.491 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -117.64 -16.52 10.08 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 117.876 -1.059 . . . . 73.53 113.359 172.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 pp -127.2 179.99 5.16 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.552 1.141 . . . . 75.54 111.463 -159.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -45.41 144.71 2.24 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 124.608 1.163 . . . . 71.11 112.827 -177.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.12 160.73 47.47 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.251 1.967 . . . . 62.2 113.1 -172.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -60.73 139.67 86.76 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 123.679 2.919 . . . . 75.51 113.336 -174.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -73.7 123.46 24.13 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 127.635 2.374 . . . . 75.41 109.637 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.49 142.27 31.04 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.223 1.009 . . . . 75.31 110.297 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -136.2 51.31 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 124.237 1.015 . . . . 72.5 109.816 177.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.409 ' HB2' ' HZ1' ' A' ' 78' ' ' LYS . 7.4 t0 173.84 17.58 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 128.992 2.917 . . . . 63.12 111.316 162.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.08 33.75 62.1 Favored Glycine 0 CA--C 1.527 0.833 0 O-C-N 121.353 -0.842 . . . . 74.34 111.781 -165.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.409 ' HZ1' ' HB2' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -126.56 96.03 4.54 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 120.746 -1.443 . . . . 75.2 111.76 171.13 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.7 m -59.43 111.78 1.51 Allowed 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.301 -1.499 . . . . 73.24 107.83 173.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.7 mm -64.34 144.27 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 N-CA-C 108.193 -1.04 . . . . 74.51 108.193 -178.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.5 162.69 13.54 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 123.016 0.527 . . . . 75.53 110.352 173.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.3 t -125.0 148.19 29.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 107.111 -1.44 . . . . 72.54 107.111 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -151.47 169.43 22.06 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 128.822 2.849 . . . . 74.52 107.209 169.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -130.18 139.81 50.81 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 126.586 1.955 . . . . 71.24 106.357 178.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -140.21 86.31 2.07 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 107.509 -1.293 . . . . 73.21 107.509 171.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.55 89.54 7.88 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 106.949 -1.501 . . . . 74.41 106.949 -175.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.36 98.58 0.67 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 109.657 -1.377 . . . . 74.21 109.657 172.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 C--O 1.253 1.242 0 N-CA-C 103.388 -2.819 . . . . 74.4 103.388 150.189 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.946 0 CA-C-O 118.706 -1.052 . . . . 72.23 113.343 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -63.01 142.69 58.28 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 119.71 1.755 . . . . 64.02 109.531 177.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.7 mtp -69.52 -171.84 0.41 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 125.242 1.417 . . . . 72.05 111.717 174.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -94.89 101.34 13.12 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 127.454 2.302 . . . . 71.41 104.799 -177.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.0 m -115.05 104.44 11.89 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.491 -1.67 . . . . 73.05 106.491 173.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.1 mt -73.73 131.13 35.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 105.202 -2.147 . . . . 74.03 105.202 167.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.3 mt -111.07 147.58 14.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 106.817 -1.549 . . . . 74.02 106.817 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -110.3 155.67 21.77 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.624 1.169 . . . . 74.05 107.983 170.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.1 mtp85 -139.54 174.49 10.46 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.317 1.047 . . . . 73.01 110.388 173.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 53.4 t30 61.42 34.15 18.35 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.354 1.862 . . . . 64.31 112.16 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.28 129.0 37.39 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 106.393 -1.706 . . . . 74.24 106.393 170.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -65.22 154.11 87.97 Favored Pre-proline 0 N--CA 1.47 0.56 0 N-CA-C 106.752 -1.573 . . . . 74.12 106.752 165.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -60.63 -23.63 76.31 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 123.501 2.801 . . . . 71.43 112.804 172.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 58.5 m170 -60.71 -27.93 68.26 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.545 1.066 . . . . 73.14 112.742 170.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 m -63.04 147.57 50.31 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 108.332 -0.988 . . . . 70.44 108.332 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.255 2.5 t -129.44 -85.83 0.54 Allowed 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 107.18 -1.415 . . . . 73.02 107.18 -178.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.7 ttp -158.28 -66.65 0.09 Allowed 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 125.595 1.558 . . . . 74.34 108.046 175.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -61.71 -31.11 71.25 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 125.706 1.602 . . . . 74.01 111.61 -174.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.5 t -55.0 -46.55 75.18 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.639 1.576 . . . . 74.42 110.061 171.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.6 mt -71.89 -47.61 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 124.924 1.29 . . . . 74.33 107.796 -176.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.85 -15.87 45.76 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 118.632 -0.699 . . . . 74.01 111.919 176.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.75 -21.05 69.66 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-O 118.36 -1.245 . . . . 63.02 113.563 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -128.99 -39.64 1.56 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.804 1.302 . . . . 71.33 112.674 -173.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.5 tp -86.53 30.67 0.7 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.583 1.953 . . . . 72.44 109.844 176.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.67 53.47 0.72 Allowed Pre-proline 0 CA--C 1.551 1.007 0 O-C-N 121.172 -0.955 . . . . 52.32 112.109 166.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -75.28 -30.4 6.82 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.602 2.201 . . . . 71.33 113.821 171.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -139.73 -24.87 0.83 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.611 1.096 . . . . 74.44 112.861 -171.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -138.16 114.56 10.34 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 107.709 -1.219 . . . . 65.25 107.709 -171.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.9 t -131.02 87.6 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 108.1 -1.074 . . . . 70.14 108.1 -161.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -62.21 165.82 5.46 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.525 -0.761 . . . . 71.21 111.851 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 57.7 m -77.66 35.5 0.19 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.869 1.268 . . . . 71.24 111.505 168.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.1 m 63.63 -70.64 0.07 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.863 2.065 . . . . 71.33 112.275 -178.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -24.72 67.63 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 120.348 1.431 . . . . 61.43 112.688 -168.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -50.21 -29.77 10.1 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 124.988 1.315 . . . . 73.34 111.496 169.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.4 t -81.0 91.95 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 C-N-CA 124.853 1.261 . . . . 71.42 107.668 170.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.94 111.66 2.59 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 120.784 -1.197 . . . . 64.34 108.333 169.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -109.04 119.21 58.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 125.776 1.63 . . . . 72.31 107.9 164.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.6 mt -77.17 133.49 30.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 N-CA-C 106.481 -1.674 . . . . 72.45 106.481 165.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.72 142.56 43.9 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.45 1.1 . . . . 70.04 108.463 175.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -54.36 162.74 1.01 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.089 1.356 . . . . 65.45 111.256 168.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.97 -21.78 12.68 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.113 0.965 . . . . 73.21 111.465 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.72 -62.3 1.42 Allowed 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.659 -1.237 . . . . 65.12 107.659 173.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.2 p -83.41 -14.17 53.24 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 112.141 0.423 . . . . 73.24 112.141 -163.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 72.72 -13.77 0.63 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.758 2.023 . . . . 73.34 113.431 -177.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.38 -179.07 0.14 Allowed 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 128.276 2.63 . . . . 74.43 111.391 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -102.12 173.82 6.21 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.946 0.898 . . . . 73.01 110.094 175.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.6 mmp_? -88.05 -13.74 40.74 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 115.179 1.548 . . . . 71.25 115.179 -175.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.89 13.27 22.24 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 127.237 2.351 . . . . 62.32 114.129 171.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -152.96 173.33 15.53 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 127.392 2.277 . . . . 73.21 107.448 176.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -150.53 168.65 23.61 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 124.628 1.171 . . . . 74.44 108.915 175.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -135.46 110.56 8.89 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.339 1.055 . . . . 64.24 108.612 -172.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.3 mt -75.24 140.74 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 120.046 1.293 . . . . 73.43 108.994 168.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -121.54 112.73 18.85 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 123.828 0.851 . . . . 70.33 109.055 169.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.4 mt -121.37 178.44 4.79 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 125.061 1.345 . . . . 74.22 110.835 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.39 148.76 4.66 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.942 0.897 . . . . 74.22 109.371 156.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.7 m -48.39 -67.07 0.3 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.788 1.635 . . . . 74.44 110.898 171.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.6 mt -69.22 -37.05 75.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 N-CA-C 109.177 -0.675 . . . . 74.31 109.177 -169.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.44 -55.7 31.33 Favored 'General case' 0 CA--C 1.523 -0.093 0 C-N-CA 123.197 0.599 . . . . 72.42 110.515 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.79 -54.96 15.99 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.61 0.764 . . . . 73.23 110.83 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.46 -33.43 75.91 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.278 0.631 . . . . 74.13 112.599 -174.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -68.48 -56.88 6.87 Favored 'General case' 0 CA--C 1.515 -0.371 0 C-N-CA 123.42 0.688 . . . . 72.25 111.045 174.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.26 -44.8 92.39 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 123.634 0.774 . . . . 74.31 110.014 -171.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.92 -38.77 73.32 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 120.895 -0.322 . . . . 72.35 110.661 -175.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -62.4 -31.11 71.73 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 111.886 0.328 . . . . 74.33 111.886 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.0 mt -63.73 -54.18 35.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 N-CA-C 106.945 -1.502 . . . . 74.34 106.945 177.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -55.21 -13.44 1.28 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.945 2.098 . . . . 73.32 114.45 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -97.54 14.47 26.43 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.911 1.232 . . . . 72.43 113.07 175.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.23 -33.01 1.53 Allowed 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.854 1.798 . . . . 73.44 115.854 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.84 175.77 0.25 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.789 1.236 . . . . 71.32 113.502 167.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -55.09 155.2 9.04 Favored Pre-proline 0 CA--C 1.542 0.639 0 C-N-CA 124.625 1.17 . . . . 74.35 111.079 162.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -63.53 165.72 17.21 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.815 3.01 . . . . 72.25 114.54 -175.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -68.28 143.87 60.19 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 123.5 2.8 . . . . 74.05 113.167 -173.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.3 120.7 24.14 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 124.955 1.302 . . . . 70.12 109.76 -176.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.62 153.82 42.48 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.862 0.865 . . . . 73.41 109.239 176.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -131.77 13.21 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 123.361 0.664 . . . . 72.23 111.506 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.41 ' CB ' ' HE3' ' A' ' 78' ' ' LYS . 1.5 t70 -171.21 32.84 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.252 1.021 . . . . 65.15 109.718 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.33 16.47 71.35 Favored Glycine 0 CA--C 1.534 1.237 0 O-C-N 120.663 -1.273 . . . . 71.22 114.415 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.41 ' HE3' ' CB ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -117.14 108.63 15.93 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 127.726 2.41 . . . . 71.44 108.565 178.645 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 56.0 m -76.57 114.75 15.64 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.019 -1.104 . . . . 73.14 108.019 175.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 32.7 mm -61.11 157.6 2.94 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 125.986 1.714 . . . . 73.13 108.681 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.12 159.65 21.45 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.894 1.678 . . . . 54.55 108.327 173.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.5 t -121.17 136.69 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 125.171 1.389 . . . . 71.34 107.608 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -128.72 163.33 25.37 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 124.521 1.129 . . . . 71.23 109.587 165.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -127.03 93.22 3.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.064 -1.425 . . . . 74.22 108.78 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.0 86.16 7.36 Favored 'General case' 0 C--O 1.226 -0.137 0 N-CA-C 107.869 -1.16 . . . . 74.02 107.869 168.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.7 tptt -116.84 106.34 13.35 Favored 'General case' 0 CA--C 1.511 -0.554 0 C-N-CA 127.791 2.437 . . . . 73.24 107.959 174.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.0 97.73 0.38 Allowed Glycine 0 CA--C 1.523 0.586 0 CA-C-O 119.592 -0.56 . . . . 74.25 111.754 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.8 m . . . . . 0 C--O 1.248 1.012 0 N-CA-C 108.797 -0.816 . . . . 74.13 108.797 145.427 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.672 0 N-CA-C 111.048 -0.821 . . . . 51.14 111.048 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -62.73 -34.17 76.63 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 122.993 0.517 . . . . 71.55 111.023 164.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.1 mmm 75.08 65.98 0.07 Allowed 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 128.694 2.798 . . . . 64.35 111.595 -178.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -161.67 142.41 10.84 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 130.771 3.628 . . . . 75.12 105.502 175.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.2 m -146.78 131.49 17.92 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 105.428 -2.064 . . . . 75.25 105.428 150.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.6 mt -106.05 132.85 52.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 105.541 -2.022 . . . . 64.11 105.541 169.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.8 mt -100.82 132.19 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 N-CA-C 106.626 -1.62 . . . . 73.31 106.626 170.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.1 mt -89.65 151.07 22.07 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.179 -1.045 . . . . 64.33 108.179 164.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 mtp-105 -133.02 172.76 12.2 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.458 1.103 . . . . 75.01 108.773 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.0 t30 57.83 42.02 23.93 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 125.097 1.359 . . . . 75.04 110.19 175.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.7 mt -89.34 130.48 35.71 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 105.233 -2.136 . . . . 75.12 105.233 171.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -73.62 159.14 85.23 Favored Pre-proline 0 C--O 1.237 0.435 0 N-CA-C 109.946 -0.39 . . . . 73.31 109.946 -177.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.36 -42.21 58.07 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 123.732 2.955 . . . . 75.02 111.993 174.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -67.45 -17.04 64.54 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.876 1.27 . . . . 75.02 113.987 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.5 m -70.68 172.97 7.76 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 120.786 -1.196 . . . . 75.31 109.855 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.283 1.7 t -129.2 -86.03 0.55 Allowed 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 106.031 -1.841 . . . . 71.03 106.031 165.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.6 ptp -159.45 -40.48 0.06 Allowed 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 119.964 1.256 . . . . 74.35 109.542 166.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.31 -25.63 68.4 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.007 0.367 . . . . 73.21 111.591 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -49.18 -43.07 41.83 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.344 1.458 . . . . 73.24 110.667 169.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.1 mp -87.34 -48.99 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 C-N-CA 125.447 1.499 . . . . 74.41 108.647 -178.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.05 -28.7 69.66 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 113.51 0.93 . . . . 75.23 113.51 -166.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -97.02 14.14 64.19 Favored Glycine 0 CA--C 1.523 0.544 0 CA-C-O 118.765 -1.02 . . . . 61.23 113.121 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -124.38 -64.63 1.1 Allowed 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.617 1.567 . . . . 75.11 107.971 175.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.77 45.53 1.3 Allowed 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 127.071 2.148 . . . . 74.32 110.145 -169.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -122.03 54.0 4.86 Favored Pre-proline 0 CA--C 1.539 0.544 0 O-C-N 121.202 -0.936 . . . . 75.54 112.52 171.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -72.52 -18.41 25.84 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.901 1.734 . . . . 74.33 113.561 171.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -129.93 -25.06 2.58 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 119.098 0.863 . . . . 75.54 113.162 -173.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.43 116.18 6.33 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 107.835 -1.172 . . . . 74.53 107.835 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.6 t -105.91 95.96 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 107.133 -1.432 . . . . 72.31 107.133 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -76.96 164.12 26.07 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 110.438 -0.208 . . . . 72.55 110.438 172.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 m -83.66 160.94 21.24 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.645 0.736 . . . . 62.03 110.916 155.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.2 p -60.4 -28.16 68.02 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.05 0.94 . . . . 74.04 112.854 173.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 p -67.14 -33.04 74.59 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 124.409 1.083 . . . . 72.14 111.713 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -73.68 -22.67 59.87 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 117.945 -1.026 . . . . 74.34 110.293 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.4 t -108.6 88.47 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-O 123.105 1.431 . . . . 63.42 109.331 -172.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -65.22 109.46 2.23 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 114.373 -1.285 . . . . 73.03 109.88 172.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.2 t -110.29 107.53 23.14 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.18 0 C-N-CA 125.762 1.625 . . . . 75.45 107.124 169.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 49.3 mt -66.38 119.45 11.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 N-CA-C 106.568 -1.641 . . . . 72.35 106.568 167.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -82.57 154.56 24.94 Favored 'General case' 0 N--CA 1.44 -0.937 0 N-CA-C 108.658 -0.868 . . . . 73.32 108.658 162.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -60.51 -26.38 66.8 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.895 0.855 . . . . 74.01 110.212 163.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm 75.14 -67.98 0.23 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 127.937 2.495 . . . . 64.31 107.751 -171.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -61.46 -47.36 86.03 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 120.002 1.274 . . . . 72.45 113.791 -169.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.7 p -74.63 -13.32 60.63 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.601 0.76 . . . . 75.42 110.839 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 63.26 14.33 7.71 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 129.945 3.298 . . . . 74.04 112.706 -170.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.6 mt -91.93 175.28 6.94 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.08 0.952 . . . . 74.32 109.316 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -88.51 -173.3 4.11 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.631 0.772 . . . . 75.23 109.864 172.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -95.54 -13.82 24.14 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.423 -0.798 . . . . 75.12 112.025 161.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.99 12.97 51.31 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.394 1.473 . . . . 52.55 114.203 168.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -135.61 165.85 24.58 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.386 1.475 . . . . 75.31 107.215 161.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.73 160.95 37.82 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 124.238 1.015 . . . . 71.21 109.184 175.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -118.65 108.92 15.51 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.779 -1.193 . . . . 75.11 107.779 -177.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 18.8 mt -79.68 142.81 13.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 125.149 1.379 . . . . 72.45 108.195 170.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -128.91 95.75 4.17 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 126.466 1.907 . . . . 75.11 107.801 171.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mt -96.79 -173.01 2.6 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.033 0.933 . . . . 73.32 110.497 -177.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.46 151.31 46.65 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.018 1.327 . . . . 71.44 108.623 157.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.7 m -48.31 -60.18 2.86 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.266 1.026 . . . . 60.43 111.517 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.7 mm -69.63 -45.16 78.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 C-N-CA 123.418 0.687 . . . . 75.24 109.245 -173.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -55.19 -45.52 75.82 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.203 0.601 . . . . 74.34 109.948 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.26 -54.0 35.83 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.959 1.304 . . . . 60.44 109.534 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.21 -48.49 81.25 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.193 0.997 . . . . 74.42 110.712 -169.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -66.05 -51.92 53.76 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.336 0.655 . . . . 74.23 110.146 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -52.91 -41.79 64.76 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 123.817 0.847 . . . . 75.52 111.389 -178.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.3 tp -56.09 -48.95 75.16 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.241 -0.651 . . . . 75.45 109.241 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -61.19 -34.95 75.9 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 117.802 0.274 . . . . 71.12 111.481 -179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 67.1 mt -64.69 -54.52 29.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 108.276 -1.009 . . . . 73.32 108.276 175.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.9 mt -56.39 -18.99 12.78 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.888 1.069 . . . . 74.45 113.888 175.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -97.82 12.88 32.45 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 118.983 0.811 . . . . 63.52 111.733 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -147.71 -21.39 0.37 Allowed 'General case' 0 C--O 1.236 0.36 0 N-CA-C 115.176 1.547 . . . . 75.35 115.176 -175.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -175.25 5.32 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.465 1.106 . . . . 75.35 112.525 178.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.33 144.84 81.95 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 123.559 0.744 . . . . 72.34 112.404 171.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -66.09 160.16 46.0 Favored 'Trans proline' 0 N--CA 1.455 -0.764 1 C-N-CA 125.64 4.227 . . . . 75.13 113.724 -171.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -77.26 149.09 27.65 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 123.271 2.647 . . . . 74.15 114.911 -171.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.29 122.52 18.53 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 127.961 2.504 . . . . 62.41 109.08 171.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.87 144.23 43.47 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 124.48 1.112 . . . . 71.05 110.233 179.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.0 17.78 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.144 0.978 . . . . 74.42 111.966 -176.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.47 ' HB3' ' HE3' ' A' ' 78' ' ' LYS . 15.7 t70 -164.58 29.07 0.07 Allowed 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.121 -0.987 . . . . 74.23 110.214 167.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.32 18.07 77.96 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.332 0.968 . . . . 43.35 114.676 -170.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.47 ' HE3' ' HB3' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -121.48 119.19 31.3 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.719 2.008 . . . . 74.15 110.82 175.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.04 124.66 26.68 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 120.877 -1.14 . . . . 64.15 110.51 174.153 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.1 mm -67.25 147.84 12.36 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 119.535 1.062 . . . . 74.41 110.063 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -130.07 176.29 8.2 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 124.548 1.139 . . . . 75.41 111.454 174.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 t -133.56 136.42 54.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 124.215 1.006 . . . . 74.34 108.94 -167.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -125.23 164.14 20.95 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.201 -1.037 . . . . 75.24 108.201 158.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -119.06 111.73 18.66 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 105.749 -1.945 . . . . 75.31 105.749 178.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.03 47.67 1.09 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 124.661 1.185 . . . . 64.15 109.198 -172.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.423 ' HE2' ' N ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -68.48 97.33 0.76 Allowed 'General case' 0 C--O 1.223 -0.323 0 N-CA-C 107.777 -1.194 . . . . 75.41 107.777 176.244 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.423 ' N ' ' HE2' ' A' ' 86' ' ' LYS . . . -52.8 -78.36 0.11 Allowed Glycine 0 CA--C 1.526 0.737 0 O-C-N 124.498 1.124 . . . . 74.24 111.29 -178.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.6 m . . . . . 0 C--O 1.257 1.468 0 CA-C-O 115.945 -1.978 . . . . 72.31 109.819 -171.393 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.356 0 N-CA-C 110.979 -0.848 . . . . 70.55 110.979 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 48.35 -171.82 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.664 2.386 . . . . 74.51 112.78 178.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.5 ptt? -94.77 137.29 34.04 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 104.656 -2.35 . . . . 73.51 104.656 154.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 45.79 94.24 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 129.002 2.921 . . . . 74.44 111.998 174.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.0 m -115.77 123.81 49.19 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 111.577 -2.556 . . . . 64.45 108.794 171.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 52.2 mt -93.98 117.4 37.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 104.399 -2.445 . . . . 65.25 104.399 159.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.2 mp -92.38 144.11 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 106.43 -1.693 . . . . 71.45 106.43 172.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mp -110.28 150.78 28.23 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 106.997 -1.483 . . . . 75.43 106.997 167.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.4 mtp85 -130.18 170.72 13.7 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 107.421 -1.326 . . . . 74.43 107.421 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 51.1 t30 67.3 30.11 7.23 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.014 1.725 . . . . 75.02 113.222 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.46 117.34 15.1 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 119.901 -1.749 . . . . 74.15 107.454 174.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.469 ' H ' ' HE3' ' A' ' 78' ' ' LYS . 2.2 m-20 -67.96 162.26 60.65 Favored Pre-proline 0 C--O 1.235 0.336 0 C-N-CA 123.56 0.744 . . . . 75.24 110.167 175.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.02 -31.54 14.8 Favored 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 123.547 2.831 . . . . 73.24 112.128 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.64 -14.98 61.72 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.47 1.108 . . . . 73.02 113.688 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.0 m -90.36 166.49 13.27 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.903 1.229 . . . . 74.0 109.877 167.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 t -135.83 -39.92 0.7 Allowed 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 125.268 1.427 . . . . 71.34 110.058 176.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.6 ttp -175.06 -60.08 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.693 0 C-N-CA 126.101 1.76 . . . . 74.24 108.686 165.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -51.85 -31.57 28.38 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 126.412 1.885 . . . . 70.41 113.153 -163.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.7 m -63.35 -59.62 4.46 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 109.988 -0.375 . . . . 75.23 109.988 173.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.3 mt -53.69 -43.83 56.45 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 C-N-CA 124.474 1.11 . . . . 73.35 108.302 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.7 tp -69.13 -21.85 64.0 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 113.567 0.951 . . . . 72.55 113.567 -166.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -107.37 -22.48 7.42 Favored Glycine 0 CA--C 1.526 0.779 0 CA-C-O 119.218 -0.768 . . . . 52.03 112.452 177.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.23 -46.88 12.16 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 118.79 1.295 . . . . 74.45 109.393 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.0 tp -81.78 20.17 0.99 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.899 0.88 . . . . 73.51 110.133 -173.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.51 53.27 2.95 Favored Pre-proline 0 CA--C 1.543 0.699 0 C-N-CA 125.124 1.37 . . . . 72.41 113.862 -171.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -68.79 -23.22 35.84 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 121.397 1.398 . . . . 73.42 112.112 167.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -130.53 -24.22 2.52 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.573 1.149 . . . . 73.15 112.704 -176.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.53 103.58 4.11 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.792 0.837 . . . . 72.23 110.351 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.7 t -80.54 108.07 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 104.121 -2.548 . . . . 74.24 104.121 157.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.16 157.03 35.27 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 119.528 -0.869 . . . . 71.11 109.934 167.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 m -84.69 155.34 21.98 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 121.98 0.895 . . . . 72.13 109.271 168.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.4 p -64.19 -24.92 67.85 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 114.008 1.114 . . . . 73.14 114.008 -172.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 t -64.52 -48.42 75.18 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.231 -0.655 . . . . 74.33 109.231 173.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -63.08 -17.92 62.82 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 124.978 1.311 . . . . 74.54 112.405 -172.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.2 t -118.31 96.24 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-O 122.719 1.247 . . . . 72.55 109.935 -170.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.4 112.42 16.62 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 108.125 -1.065 . . . . 74.11 108.125 170.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.5 t -108.1 101.48 12.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 103.761 -2.681 . . . . 72.02 103.761 160.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.1 mt -68.57 136.23 26.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 N-CA-C 106.055 -1.832 . . . . 72.32 106.055 171.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -129.82 160.93 31.97 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.63 0.772 . . . . 74.4 109.331 177.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -68.67 -175.48 0.68 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.778 0.831 . . . . 64.33 112.024 -175.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.21 -40.81 4.33 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.363 1.465 . . . . 74.32 111.234 174.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -101.99 -36.82 8.47 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.388 0.675 . . . . 64.02 110.801 -172.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.3 p -81.24 -21.5 39.42 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.752 0.705 . . . . 73.31 110.716 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.2 mm-40 56.95 44.78 22.42 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.765 2.026 . . . . 54.53 111.304 -174.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -137.83 159.8 41.01 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.536 1.062 . . . . 75.04 110.862 177.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -56.97 162.89 2.23 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.18 1.392 . . . . 74.24 111.822 178.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.95 -14.53 61.06 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.035 -1.04 . . . . 70.13 111.754 167.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.89 -14.31 52.74 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 119.937 1.244 . . . . 73.04 114.229 178.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -128.53 163.73 24.33 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 119.51 1.655 . . . . 74.22 109.235 169.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -147.09 157.01 43.47 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.727 1.211 . . . . 64.44 110.406 -171.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -130.12 99.09 4.94 Favored 'General case' 0 C--N 1.334 -0.093 0 C-N-CA 124.423 1.089 . . . . 74.13 111.321 -158.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.6 mt -79.59 137.87 20.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 N-CA-C 108.061 -1.088 . . . . 72.54 108.061 170.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.06 119.02 31.26 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.734 2.014 . . . . 73.55 105.766 169.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.2 mt -124.22 169.01 12.16 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.519 1.128 . . . . 73.14 108.681 176.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.2 t -65.24 164.6 13.03 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.119 0.568 . . . . 73.55 110.44 175.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.5 p -53.29 -67.18 0.28 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.235 1.414 . . . . 65.51 111.722 -167.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.4 mm -68.75 -37.92 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 O-C-N 121.271 -0.893 . . . . 71.54 110.186 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -57.93 -49.35 77.05 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 124.41 1.084 . . . . 74.55 110.904 -173.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.17 -54.04 41.7 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.045 1.338 . . . . 72.43 110.445 176.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.76 -43.84 92.0 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.934 0.493 . . . . 71.44 110.556 -176.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -59.43 -56.29 23.9 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 123.799 0.84 . . . . 64.14 110.301 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -54.53 -52.1 63.09 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 124.373 1.046 . . . . 75.23 109.261 -177.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.9 tp -50.54 -53.6 28.98 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.685 0.794 . . . . 73.14 110.623 -176.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -63.92 -23.44 67.34 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.62 0.6 . . . . 64.22 112.62 -172.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.7 mt -66.69 -59.88 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 N-CA-C 108.002 -1.11 . . . . 75.23 108.002 174.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.17 -22.81 63.38 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.289 -0.882 . . . . 64.24 112.698 -178.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -84.97 14.43 4.92 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.008 1.323 . . . . 72.41 113.273 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.51 -43.32 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 123.777 0.831 . . . . 64.45 111.99 -178.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 pp -77.08 -168.89 1.18 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.219 1.408 . . . . 73.25 112.565 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -53.05 157.16 3.08 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 126.354 1.862 . . . . 64.43 113.214 -177.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -66.56 161.52 40.98 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 123.209 2.606 . . . . 74.52 112.151 -176.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -63.76 141.82 80.35 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 123.107 2.538 . . . . 74.31 112.648 -176.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.53 114.48 16.41 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 126.153 1.781 . . . . 74.25 108.613 -175.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.2 t -71.08 159.34 34.88 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.955 0.883 . . . . 75.41 110.826 172.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -138.44 15.95 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 125.968 1.707 . . . . 73.31 110.399 -175.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.1 t70 178.19 42.62 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 127.563 2.345 . . . . 72.15 109.093 173.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.46 -14.23 1.89 Allowed Glycine 0 CA--C 1.535 1.298 0 O-C-N 120.286 -1.509 . . . . 75.14 115.716 -178.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.469 ' HE3' ' H ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -83.63 109.45 17.45 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 120.342 2.071 . . . . 75.42 109.371 177.777 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.53 113.92 6.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 121.205 1.82 . . . . 75.43 108.694 174.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.6 mm -59.12 165.27 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-O 122.232 1.015 . . . . 74.22 109.306 178.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.48 161.13 27.79 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 126.97 2.108 . . . . 74.14 107.217 -176.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 19.4 t -129.83 143.24 41.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 105.543 -2.021 . . . . 73.41 105.543 177.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.08 165.05 28.5 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 124.969 1.308 . . . . 75.32 108.413 178.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -141.17 105.34 4.81 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.15 -1.055 . . . . 75.51 108.15 -174.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.13 65.79 1.21 Allowed 'General case' 0 C--O 1.239 0.519 0 CA-C-O 122.716 1.246 . . . . 63.23 109.592 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -71.63 42.09 0.08 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 128.869 2.867 . . . . 73.43 111.921 177.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.76 -15.29 3.05 Favored Glycine 0 CA--C 1.528 0.882 0 O-C-N 119.716 -1.865 . . . . 74.13 114.91 171.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.3 t . . . . . 0 C--O 1.248 0.984 0 C-N-CA 126.106 1.762 . . . . 73.54 107.728 164.209 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.469 0 CA-C-O 117.839 -1.534 . . . . 62.13 110.802 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -164.0 -45.66 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.455 1.502 . . . . 74.24 110.495 179.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.13 116.79 6.87 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 108.504 -0.924 . . . . 72.34 108.504 178.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 61.41 90.91 0.06 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 127.13 2.172 . . . . 52.33 108.456 176.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.7 m -120.38 124.47 45.58 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 125.006 1.322 . . . . 72.23 108.441 -174.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.2 mt -86.96 134.11 28.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 106.135 -1.802 . . . . 74.35 106.135 165.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mp -112.0 155.1 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 106.897 -1.52 . . . . 75.34 106.897 162.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.6 mt -125.58 159.67 31.52 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 125.286 1.435 . . . . 75.44 108.704 177.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.7 mtt-85 -134.35 163.15 30.3 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.86 0.864 . . . . 73.54 109.42 173.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 58.8 t30 74.18 39.57 0.48 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.639 1.976 . . . . 71.11 112.698 175.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.37 97.85 10.22 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 120.207 -1.558 . . . . 75.15 108.208 176.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.507 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 2.1 m-20 -49.53 154.6 1.57 Allowed Pre-proline 0 N--CA 1.479 0.994 0 C-N-CA 123.846 0.858 . . . . 74.24 111.068 175.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -56.49 -47.73 22.48 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.694 2.929 . . . . 72.3 112.129 -175.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -83.86 13.86 4.51 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.479 0.918 . . . . 73.33 113.479 -175.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.6 t -73.57 -22.54 60.03 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 114.816 1.413 . . . . 74.45 114.816 -172.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.13 -164.86 0.22 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.954 1.302 . . . . 74.45 112.939 -175.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 61.9 ttp -115.46 -59.02 2.06 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 124.433 1.093 . . . . 73.33 109.191 170.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -60.57 -30.48 69.82 Favored 'General case' 0 N--CA 1.462 0.142 0 O-C-N 123.482 0.489 . . . . 74.11 111.353 -173.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.6 t -49.68 -63.47 1.1 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.942 1.697 . . . . 73.14 110.065 168.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.6 mt -60.31 -42.79 91.94 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.253 0 C-N-CA 125.727 1.611 . . . . 75.14 109.616 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.3 mt -53.95 -44.32 70.61 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 119.575 1.08 . . . . 75.22 109.76 177.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -86.38 14.18 55.46 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-O 117.281 -1.844 . . . . 73.41 115.232 -177.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.55 -37.85 0.68 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.137 1.468 . . . . 74.13 112.786 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 tp -95.14 31.31 1.94 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 127.27 2.228 . . . . 75.35 110.042 -178.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.77 54.29 13.63 Favored Pre-proline 0 CA--C 1.54 0.574 0 O-C-N 121.202 -0.937 . . . . 73.15 112.119 173.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.86 -32.86 13.31 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 121.386 1.391 . . . . 75.43 112.15 176.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -107.15 -28.36 10.01 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 117.96 -1.019 . . . . 75.53 112.834 -174.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.95 133.93 12.26 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 125.617 1.567 . . . . 71.51 108.717 -169.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.0 t -112.66 96.35 4.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 118.917 0.781 . . . . 72.52 111.063 -163.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.59 169.95 6.97 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 125.794 1.637 . . . . 74.23 112.91 177.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.9 m -130.45 163.87 26.02 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.804 1.642 . . . . 73.45 111.679 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.8 p -76.44 -24.94 53.96 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 115.706 1.743 . . . . 74.12 115.706 -163.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.6 t -69.17 -34.86 75.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 119.13 0.877 . . . . 74.33 109.669 172.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -68.55 -37.42 79.93 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.639 -0.504 . . . . 72.14 109.639 -176.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.4 t -90.41 144.72 8.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 123.881 0.872 . . . . 72.22 110.784 -174.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.82 90.95 2.9 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 120.676 -1.265 . . . . 74.05 110.275 -173.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.6 t -93.58 85.79 2.0 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 C-N-CA 127.442 2.297 . . . . 74.22 107.978 169.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.6 mt -59.62 122.96 11.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 C-N-CA 125.83 1.652 . . . . 73.02 106.917 171.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -92.9 156.65 16.81 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 118.931 0.787 . . . . 73.44 109.766 172.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -71.3 175.97 4.95 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 118.652 0.66 . . . . 73.33 110.944 166.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -112.06 -14.69 13.4 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 114.53 1.307 . . . . 73.42 114.53 169.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.32 -56.41 2.63 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 120.233 1.379 . . . . 73.04 109.547 175.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.9 p -74.63 -15.1 60.83 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 119.59 1.087 . . . . 74.34 112.202 -174.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 68.22 -14.31 0.25 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.864 1.666 . . . . 70.32 113.318 -168.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.9 -172.7 0.88 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.673 1.589 . . . . 75.4 110.239 -174.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.5 p30 -75.9 -173.74 2.4 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.748 2.019 . . . . 74.04 112.287 167.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -111.85 -13.83 13.62 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.162 1.785 . . . . 73.33 113.53 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.79 14.5 36.93 Favored Glycine 0 N--CA 1.469 0.873 0 CA-C-N 119.914 1.234 . . . . 61.41 114.698 172.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -145.42 168.18 21.16 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 125.645 1.578 . . . . 75.01 106.814 170.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -146.31 158.09 43.85 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 120.418 -1.426 . . . . 75.23 108.7 166.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -113.08 160.11 18.51 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.066 -1.457 . . . . 73.12 107.066 176.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 45.1 mt -142.23 118.97 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 126.776 2.03 . . . . 74.25 105.611 177.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.89 86.44 2.34 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 105.541 -2.022 . . . . 72.51 105.541 -177.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 mt -85.52 -171.88 3.84 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.556 -0.715 . . . . 71.53 109.358 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.1 t -68.79 159.01 33.19 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 108.892 -0.781 . . . . 71.35 108.892 162.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 p -45.23 -68.92 0.16 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 127.19 2.196 . . . . 72.32 111.641 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.3 mm -62.32 -46.0 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 C-N-CA 125.212 1.405 . . . . 74.13 109.396 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -60.5 -48.8 80.16 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 123.087 0.555 . . . . 73.33 111.334 -175.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.88 -40.14 79.53 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.404 1.082 . . . . 73.14 111.14 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.96 -59.0 3.6 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.393 0.677 . . . . 72.13 110.328 174.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -48.74 -57.81 5.75 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 125.162 1.385 . . . . 74.35 110.161 -177.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -55.17 -51.04 67.78 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 124.615 1.166 . . . . 74.14 110.085 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.8 tt -57.07 -47.49 80.88 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-O 118.602 -0.713 . . . . 62.33 110.608 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -56.67 -35.8 68.85 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 122.981 0.512 . . . . 75.35 112.314 -175.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.4 mt -59.64 -65.12 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 124.559 1.144 . . . . 71.44 110.042 177.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.16 -14.55 25.82 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.767 0.827 . . . . 73.14 113.03 -176.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -95.88 14.8 22.23 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.497 1.519 . . . . 72.35 111.858 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -142.24 13.95 2.02 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 114.071 1.137 . . . . 74.31 114.071 -178.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.3 pp -163.07 145.01 10.06 Favored 'General case' 0 CA--C 1.514 -0.442 0 O-C-N 120.679 -1.263 . . . . 73.11 110.116 -175.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 55.61 167.22 0.05 OUTLIER Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.835 1.254 . . . . 75.21 113.502 175.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -69.15 169.57 17.83 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 121.086 1.191 . . . . 74.13 110.252 166.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -64.81 157.0 58.68 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 122.862 2.375 . . . . 73.21 111.258 158.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.416 HD13 ' H ' ' A' ' 74' ' ' THR . 0.2 OUTLIER -91.3 170.83 9.66 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 127.827 2.451 . . . . 72.54 108.657 -175.307 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.416 ' H ' HD13 ' A' ' 73' ' ' LEU . 10.7 t -145.23 151.15 37.93 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 121.579 -0.7 . . . . 75.34 111.255 164.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -138.2 18.52 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 127.248 2.219 . . . . 75.54 110.343 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -163.7 31.04 0.08 Allowed 'General case' 0 N--CA 1.48 1.072 0 O-C-N 119.525 -1.984 . . . . 72.35 109.567 167.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.72 13.75 59.48 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 125.017 1.294 . . . . 63.14 114.792 -173.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.507 ' HE3' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -112.36 113.96 26.43 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 119.194 1.497 . . . . 74.13 108.971 173.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.93 120.13 18.13 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.324 -0.86 . . . . 63.43 109.212 -177.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.7 mm -71.97 134.52 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 N-CA-C 109.425 -0.583 . . . . 74.25 109.425 -173.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.5 157.89 16.78 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.436 1.494 . . . . 73.32 108.614 169.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.5 t -127.02 149.58 32.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 124.902 1.281 . . . . 74.53 107.579 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -142.97 164.53 29.84 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 125.683 1.593 . . . . 71.23 109.096 174.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -138.26 88.32 2.3 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 125.143 1.377 . . . . 75.31 108.161 -174.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -93.08 76.77 4.67 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 107.724 -1.213 . . . . 41.35 107.724 176.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -76.54 111.13 11.7 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 108.499 -0.926 . . . . 74.11 108.499 -174.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -73.79 74.04 1.17 Allowed Glycine 0 CA--C 1.534 1.232 0 CA-C-O 119.844 -0.42 . . . . 61.45 112.051 171.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.1 m . . . . . 0 C--O 1.251 1.183 0 N-CA-C 107.499 -1.297 . . . . 74.51 107.499 158.415 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.891 0 N-CA-C 111.047 -0.821 . . . . 74.4 111.047 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 74.99 -58.7 0.57 Allowed 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 127.711 2.404 . . . . 75.42 112.879 172.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.3 tpp 50.94 -163.76 0.05 Allowed 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 124.737 1.215 . . . . 75.0 111.119 -170.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.441 ' OD2' ' HE2' ' A' ' 86' ' ' LYS . 1.7 m-20 -94.23 93.98 8.07 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 104.297 -2.483 . . . . 74.34 104.297 175.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.5 m -98.45 134.04 41.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.206 -0.906 . . . . 72.41 109.101 174.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.0 mt -97.35 131.62 43.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 N-CA-C 104.988 -2.227 . . . . 75.4 104.988 163.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.6 mt -106.77 150.78 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 106.056 -1.831 . . . . 75.41 106.056 172.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 mp -120.83 155.23 34.52 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 125.061 1.344 . . . . 73.01 107.488 175.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.9 mtp85 -138.59 173.91 11.09 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.721 0.808 . . . . 75.44 109.562 175.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.7 t30 62.54 30.26 17.09 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.797 2.039 . . . . 73.34 112.184 -174.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.7 124.24 24.31 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 119.545 -1.972 . . . . 71.34 105.943 173.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -64.11 153.07 86.37 Favored Pre-proline 0 C--O 1.236 0.385 0 CA-C-O 118.9 -0.571 . . . . 74.44 109.685 175.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -59.21 -43.89 38.15 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 122.961 2.441 . . . . 73.0 111.34 172.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -66.71 -14.76 62.91 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.903 1.281 . . . . 75.3 113.932 176.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 t -69.44 164.46 23.0 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 120.024 1.283 . . . . 75.43 109.334 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.409 HG23 ' H ' ' A' ' 19' ' ' SER . 12.4 t -124.63 -164.24 1.25 Allowed 'General case' 0 C--O 1.236 0.384 0 N-CA-C 107.463 -1.31 . . . . 74.4 107.463 168.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 51.5 ttm -85.21 -55.67 3.92 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 126.565 1.946 . . . . 75.04 107.233 169.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -57.74 -28.9 64.32 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.065 1.346 . . . . 73.02 112.471 -168.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.409 ' H ' HG23 ' A' ' 16' ' ' THR . 68.5 p -71.36 -56.29 6.27 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.598 -0.89 . . . . 64.04 108.598 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mt -54.16 -42.68 57.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 125.766 1.627 . . . . 71.33 108.857 175.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.88 -21.47 64.73 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 117.503 -1.236 . . . . 74.2 113.712 -178.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -113.11 13.97 23.76 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 119.763 1.165 . . . . 74.42 113.444 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -144.51 -21.62 0.53 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 118.601 1.2 . . . . 74.12 113.386 -178.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 tp -94.06 14.56 19.49 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.957 0.799 . . . . 71.43 109.392 168.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.94 52.42 2.26 Favored Pre-proline 0 CA--C 1.544 0.714 0 N-CA-C 113.41 0.893 . . . . 75.32 113.41 -173.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -73.8 -32.46 7.36 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 121.934 1.756 . . . . 73.42 111.259 165.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -109.18 -34.54 6.55 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 119.125 0.875 . . . . 75.41 112.892 -168.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.35 141.78 33.82 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.689 -1.226 . . . . 75.41 107.689 173.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.6 t -117.18 98.78 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 N-CA-C 106.126 -1.805 . . . . 71.24 106.126 -174.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.4 mt -75.51 178.5 5.92 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.007 1.323 . . . . 74.01 110.074 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 t -124.59 171.94 9.63 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 122.141 0.972 . . . . 74.2 110.961 169.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.5 m -68.91 -24.44 64.3 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.971 1.309 . . . . 71.23 113.324 -169.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.6 t -80.39 -25.77 38.91 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.656 1.117 . . . . 73.13 110.573 172.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -69.98 -47.99 60.01 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 119.3 0.955 . . . . 72.32 108.813 176.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.0 t -75.21 143.65 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 121.768 0.794 . . . . 71.31 110.056 -177.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -129.05 112.35 13.92 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 106.946 -1.501 . . . . 74.21 106.946 168.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.2 t -110.1 100.23 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 104.793 -2.299 . . . . 74.42 104.793 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.1 mt -74.42 128.29 36.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 N-CA-C 106.344 -1.724 . . . . 61.22 106.344 177.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -89.1 155.51 19.4 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 123.108 0.563 . . . . 73.13 110.131 172.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -30.07 56.72 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.327 1.451 . . . . 71.3 111.771 174.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.1 mttp 73.84 -20.93 0.28 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 127.376 2.27 . . . . 75.42 113.914 163.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.1 -65.87 0.64 Allowed 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 107.796 -1.187 . . . . 71.2 107.796 157.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.4 ' C ' ' H ' ' A' ' 45' ' ' LEU . 40.6 p -92.12 12.7 21.23 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.971 0.805 . . . . 64.13 112.138 -172.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 58.73 -13.73 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 127.955 2.502 . . . . 61.2 115.716 -171.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.4 ' H ' ' C ' ' A' ' 43' ' ' THR . 68.4 mt -59.5 168.92 1.41 Allowed 'General case' 0 C--O 1.231 0.11 0 C-N-CA 125.271 1.428 . . . . 63.43 111.1 -177.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -74.38 179.21 4.71 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.878 -0.415 . . . . 73.33 109.878 169.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -89.55 -14.07 35.94 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.692 0.997 . . . . 74.31 113.692 170.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.86 12.71 49.18 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 125.156 1.36 . . . . 74.32 114.153 174.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -142.45 161.93 36.77 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 127.554 2.341 . . . . 75.24 107.004 170.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -143.56 175.18 10.14 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.011 0.924 . . . . 75.43 108.513 177.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.5 ' HB3' HE22 ' A' ' 53' ' ' GLN . 48.4 m-85 -137.12 164.58 28.11 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.267 1.427 . . . . 73.21 108.204 -175.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.9 mt -137.96 125.76 30.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 128.37 2.668 . . . . 73.32 105.898 175.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.5 HE22 ' HB3' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -116.65 100.69 8.0 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 106.889 -1.523 . . . . 75.43 106.889 179.72 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 mt -118.24 -174.77 2.73 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.47 1.508 . . . . 75.24 109.699 -176.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.42 161.02 20.74 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.795 -0.566 . . . . 73.22 109.594 163.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.0 p -54.96 -61.29 2.4 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.143 0.577 . . . . 64.04 109.84 174.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.6 mm -53.82 -58.7 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 125.544 1.538 . . . . 75.05 110.536 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.1 -46.73 85.03 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 109.894 -0.41 . . . . 63.25 109.894 -170.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.24 -55.2 37.86 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 123.772 0.829 . . . . 73.25 110.295 178.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.88 -49.55 75.16 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.721 1.209 . . . . 62.02 110.341 -175.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -55.22 -56.2 22.67 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 125.837 1.655 . . . . 74.32 110.85 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.2 -41.87 89.57 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.565 0.746 . . . . 71.24 110.692 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.09 -36.72 80.43 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.675 -0.641 . . . . 75.12 110.201 -178.322 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.52 -42.07 95.68 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.431 0.56 . . . . 73.32 110.449 176.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 69.4 mt -59.22 -52.93 54.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 N-CA-C 108.213 -1.032 . . . . 73.45 108.213 177.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.3 mt -52.82 -22.75 5.77 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 125.143 1.377 . . . . 75.43 114.41 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -105.14 14.64 28.83 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.232 0.924 . . . . 73.33 112.389 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -127.01 -33.74 2.41 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.935 1.294 . . . . 75.04 113.83 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.75 -166.71 1.66 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.421 2.288 . . . . 75.31 114.533 -170.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -67.34 152.99 95.6 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 125.473 1.509 . . . . 75.3 113.072 170.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -66.99 165.64 25.57 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 124.003 3.136 . . . . 63.12 113.432 -176.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -71.36 139.69 35.35 Favored 'Trans proline' 0 N--CA 1.449 -1.091 0 C-N-CA 121.912 1.741 . . . . 73.31 112.947 -176.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.96 123.9 21.88 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 125.655 1.582 . . . . 73.31 108.047 171.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.63 145.85 31.47 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 124.548 1.139 . . . . 61.24 109.8 175.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -128.28 19.34 2.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 124.797 1.239 . . . . 75.02 109.649 -172.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -173.01 31.07 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.554 1.542 . . . . 72.2 110.7 172.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.18 15.67 65.71 Favored Glycine 0 CA--C 1.535 1.325 0 O-C-N 120.613 -1.304 . . . . 73.0 114.752 -173.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.24 105.35 14.0 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 126.305 1.842 . . . . 75.12 109.049 173.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 58.5 m -69.91 115.01 8.64 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 118.83 -1.148 . . . . 74.42 109.286 168.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.7 mm -63.68 158.26 3.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 126.135 1.774 . . . . 75.13 110.166 -178.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -110.76 161.05 16.17 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 126.269 1.828 . . . . 75.0 109.403 172.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.7 t -122.2 138.44 52.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 106.968 -1.493 . . . . 73.12 106.968 173.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -132.87 163.22 29.59 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 125.506 1.523 . . . . 63.42 109.199 167.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -123.19 110.51 15.34 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.777 -1.194 . . . . 74.41 107.777 -178.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -112.72 71.12 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 107.375 -1.343 . . . . 74.2 107.375 175.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.441 ' HE2' ' OD2' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -70.83 160.57 32.52 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.897 -1.149 . . . . 75.13 107.897 167.896 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.3 -72.24 0.7 Allowed Glycine 0 CA--C 1.519 0.296 0 N-CA-C 109.912 -1.275 . . . . 63.11 109.912 169.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.4 m . . . . . 0 C--O 1.249 1.045 0 C-N-CA 127.447 2.299 . . . . 71.04 113.611 -176.858 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.523 0 N-CA-C 111.319 -0.712 . . . . 71.32 111.319 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -54.97 -37.71 66.86 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 126.926 2.091 . . . . 74.32 112.539 -167.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.2 133.87 25.13 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 105.243 -2.132 . . . . 74.02 105.243 173.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 43.38 83.5 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 129.245 3.018 . . . . 74.02 109.656 152.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.9 m -115.46 150.68 36.08 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 112.724 -2.035 . . . . 74.41 106.31 -175.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.0 mt -112.81 133.98 56.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 104.31 -2.478 . . . . 73.15 104.31 166.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.2 mt -107.56 140.73 24.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 105.748 -1.945 . . . . 72.22 105.748 174.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -114.11 154.35 27.92 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.436 -0.95 . . . . 63.4 108.436 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -133.41 178.3 7.02 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.135 0.974 . . . . 75.22 110.3 172.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 40.6 t30 54.48 50.04 17.0 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 125.71 1.604 . . . . 75.14 111.187 175.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.5 mt -86.22 121.7 29.18 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 105.651 -1.981 . . . . 74.41 105.651 169.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -57.11 152.04 31.95 Favored Pre-proline 0 C--O 1.235 0.33 0 N-CA-C 109.158 -0.682 . . . . 74.11 109.158 169.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.37 -37.04 32.4 Favored 'Trans proline' 0 N--CA 1.446 -1.284 0 C-N-CA 121.784 1.656 . . . . 75.4 110.901 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -92.01 13.89 17.41 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.165 0.586 . . . . 73.02 112.024 -177.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.5 m -93.75 165.47 12.68 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 120.55 -1.343 . . . . 74.31 109.117 162.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 p -135.09 -178.12 4.95 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 125.811 1.645 . . . . 73.2 106.865 144.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 ptm -50.52 -34.17 24.31 Favored 'General case' 0 C--O 1.217 -0.616 0 C-N-CA 126.321 1.849 . . . . 71.21 111.11 167.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.05 -28.32 66.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 118.514 0.597 . . . . 74.2 111.685 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 m -111.15 24.17 13.21 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 123.848 0.859 . . . . 74.44 112.126 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.44 ' CD1' ' HZ3' ' A' ' 78' ' ' LYS . 52.7 mt -132.32 -34.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.07 0 C-N-CA 123.968 0.907 . . . . 75.44 109.427 173.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.9 mt -51.81 -46.38 64.26 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 122.916 0.486 . . . . 73.4 109.911 169.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.96 14.96 5.52 Favored Glycine 0 CA--C 1.534 1.226 0 CA-C-O 118.384 -1.231 . . . . 64.4 115.367 -173.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -150.65 -40.49 0.13 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 119.952 1.876 . . . . 73.01 111.202 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.64 21.71 4.54 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.087 1.355 . . . . 75.02 111.375 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.54 53.67 0.71 Allowed Pre-proline 0 CA--C 1.547 0.828 0 CA-C-N 119.541 1.064 . . . . 74.01 112.388 171.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -76.06 -14.43 18.91 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 122.95 2.434 . . . . 71.01 111.756 169.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -124.41 -79.6 0.61 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.509 1.524 . . . . 63.04 107.337 -176.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.92 106.02 14.4 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 123.637 0.775 . . . . 72.32 109.676 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.1 t -87.0 86.5 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 105.94 -1.874 . . . . 74.42 105.94 169.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.4 mt -66.4 154.22 40.71 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.029 0.532 . . . . 72.24 109.857 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.63 23.45 0.42 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.099 1.36 . . . . 71.25 112.056 -173.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.7 t 55.29 -60.41 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.057 2.143 . . . . 73.22 112.802 -162.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.4 t -54.03 -24.54 17.41 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.287 2.235 . . . . 70.24 113.872 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -52.39 -31.26 33.16 Favored 'General case' 0 C--N 1.341 0.235 0 O-C-N 121.008 -1.057 . . . . 74.41 111.249 169.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.6 t -101.55 143.57 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 C-N-CA 124.973 1.309 . . . . 74.24 110.149 -164.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.66 94.28 3.82 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 126.167 1.787 . . . . 73.31 108.554 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.2 t -95.02 106.37 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 105.258 -2.127 . . . . 75.24 105.258 164.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.0 mt -76.69 152.05 5.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 107.355 -1.35 . . . . 75.13 107.355 172.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -129.13 143.98 51.05 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.828 0.851 . . . . 74.41 111.365 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -61.26 150.92 33.23 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.418 -0.355 . . . . 74.41 110.916 175.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -95.68 13.91 24.82 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.773 1.027 . . . . 72.43 113.773 176.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -124.08 -50.56 1.8 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 119.27 0.941 . . . . 74.13 109.149 -177.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.509 HG22 ' H ' ' A' ' 45' ' ' LEU . 15.3 t -92.38 -14.09 29.17 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.805 0.729 . . . . 55.53 110.783 178.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 71.74 -12.66 0.63 Allowed 'General case' 0 C--N 1.342 0.273 0 CA-C-O 116.731 -1.604 . . . . 74.41 114.269 -169.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.509 ' H ' HG22 ' A' ' 43' ' ' THR . 41.4 mt -62.64 174.45 1.01 Allowed 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 120.012 1.278 . . . . 74.21 110.642 -177.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -69.63 -165.73 0.09 Allowed 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 125.205 1.402 . . . . 75.13 109.977 170.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -108.12 -12.76 15.06 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.972 1.709 . . . . 71.23 112.389 168.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.93 14.17 58.19 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 123.808 0.718 . . . . 75.03 113.414 176.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -147.82 167.53 24.52 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 126.075 1.75 . . . . 74.12 106.709 169.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -149.3 178.25 8.93 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 123.92 0.888 . . . . 63.42 109.341 174.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -130.01 158.18 40.29 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.001 1.72 . . . . 74.22 107.542 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 58.3 mt -131.57 130.05 62.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 127.228 2.211 . . . . 75.33 105.417 170.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.17 124.93 52.45 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 106.393 -1.706 . . . . 71.02 106.393 172.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.03 -179.82 5.56 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 126.033 1.733 . . . . 74.03 108.616 179.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.46 151.05 13.94 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.715 -0.846 . . . . 71.33 108.715 160.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.3 m -44.87 -63.19 0.97 Allowed 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 126.388 1.875 . . . . 72.13 110.271 172.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 45.7 mt -65.48 -48.05 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 N-CA-C 108.864 -0.791 . . . . 74.01 108.864 -174.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -64.18 -42.48 96.67 Favored 'General case' 0 C--N 1.331 -0.197 0 O-C-N 121.825 -0.547 . . . . 71.42 111.688 -166.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.46 -53.22 24.21 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.168 0.987 . . . . 71.22 110.17 178.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.1 -45.78 91.97 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.921 0.889 . . . . 72.41 110.795 -178.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -59.13 -58.33 9.1 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 118.777 0.717 . . . . 73.02 110.627 -177.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.23 -45.07 92.11 Favored 'General case' 0 CA--C 1.518 -0.257 0 O-C-N 123.389 0.431 . . . . 71.22 110.196 -174.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.13 -46.25 65.3 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 119.709 -0.186 . . . . 74.04 111.291 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -62.41 -31.33 71.99 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 119.002 -0.523 . . . . 75.31 112.24 -176.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 68.6 mt -59.21 -59.24 4.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 C-N-CA 125.015 1.326 . . . . 73.34 108.358 179.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -48.87 -43.23 38.71 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.336 1.054 . . . . 73.03 110.745 173.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -78.3 18.26 0.56 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.07 1.348 . . . . 75.32 113.86 -177.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.4 -34.42 1.39 Allowed 'General case' 0 C--O 1.234 0.281 0 C-N-CA 124.094 0.958 . . . . 73.43 112.515 168.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 pp -75.84 -166.77 0.61 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.245 1.018 . . . . 75.02 111.541 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -53.99 165.15 0.82 Allowed Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 124.717 1.207 . . . . 74.02 112.875 173.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -65.6 167.54 16.9 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 122.716 2.277 . . . . 55.25 112.182 171.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -66.04 147.01 83.88 Favored 'Trans proline' 0 N--CA 1.455 -0.752 0 C-N-CA 122.696 2.264 . . . . 74.22 112.333 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.91 125.47 29.4 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 127.473 2.309 . . . . 64.04 109.058 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.7 t -84.65 154.96 22.21 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.494 1.117 . . . . 75.34 109.419 177.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.44 13.98 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 C-N-CA 124.408 1.083 . . . . 75.4 111.621 -173.179 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.7 18.58 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.614 1.566 . . . . 71.41 109.811 177.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.8 30.31 63.93 Favored Glycine 0 C--N 1.344 1.02 0 C-N-CA 124.636 1.113 . . . . 75.34 113.677 -173.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.44 ' HZ3' ' CD1' ' A' ' 20' ' ' ILE . 0.0 OUTLIER -126.92 98.33 5.3 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 126.807 2.043 . . . . 75.2 109.117 178.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 m -69.78 117.87 11.93 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 107.553 -1.277 . . . . 75.34 107.553 175.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 30.1 mm -61.01 153.98 4.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 123.988 0.915 . . . . 75.04 108.766 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.01 159.88 18.68 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.036 0.935 . . . . 75.31 109.067 166.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.6 t -133.47 137.42 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 125.431 1.492 . . . . 75.15 108.205 -176.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -125.75 149.98 48.1 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.599 -0.889 . . . . 75.33 108.599 158.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -77.37 150.06 35.15 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 105.907 -1.886 . . . . 75.13 105.907 153.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -133.16 74.57 1.57 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 106.759 -1.571 . . . . 75.05 106.759 170.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -102.16 107.93 19.16 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 113.645 -1.616 . . . . 75.04 107.301 175.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.67 -54.84 8.01 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 109.938 -1.265 . . . . 62.42 109.938 173.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 C--O 1.245 0.858 0 C-N-CA 125.336 1.454 . . . . 71.14 110.965 -177.787 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.863 0 N-CA-C 109.757 -1.337 . . . . 74.01 109.757 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -73.76 90.1 1.84 Allowed 'General case' 0 CA--C 1.528 0.101 0 CA-C-N 118.72 1.26 . . . . 64.21 108.098 165.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 59.4 mtp -88.38 102.61 15.04 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 106.596 -1.631 . . . . 73.44 106.596 -177.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 74.73 98.32 0.07 Allowed 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 128.2 2.6 . . . . 73.14 110.833 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.8 m -146.13 128.66 16.03 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 125.186 1.395 . . . . 62.3 107.945 172.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 55.3 mt -88.6 124.5 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 104.897 -2.26 . . . . 74.0 104.897 167.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.3 mt -92.37 145.55 7.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 106.942 -1.503 . . . . 73.14 106.942 172.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.0 mt -111.93 156.45 22.06 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 108.546 -0.909 . . . . 74.32 108.546 163.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -144.04 168.92 18.85 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 127.094 2.157 . . . . 63.01 108.634 -175.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.6 t30 59.24 30.95 20.79 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.806 1.242 . . . . 63.24 111.652 -176.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.75 119.52 14.1 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 105.613 -1.995 . . . . 74.33 105.613 167.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -68.51 154.22 94.7 Favored Pre-proline 0 C--O 1.234 0.244 0 N-CA-C 106.994 -1.484 . . . . 70.31 106.994 170.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -74.71 -14.93 21.77 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 122.627 2.218 . . . . 74.25 112.953 -172.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -78.26 -22.14 48.78 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.208 0.603 . . . . 73.32 111.766 -176.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.5 m -82.59 168.81 16.97 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.941 -0.763 . . . . 72.21 108.941 165.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.2 t -125.64 -74.17 0.61 Allowed 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 106.128 -1.804 . . . . 64.32 106.128 173.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.8 ptt? -153.8 -48.0 0.09 Allowed 'General case' 0 CA--C 1.512 -0.518 0 C-N-CA 124.098 0.959 . . . . 74.32 109.323 178.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.97 -28.41 68.98 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.827 0.851 . . . . 71.15 112.292 -177.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 m -59.68 -35.5 74.59 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.55 1.14 . . . . 63.34 111.326 174.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.2 mp -93.4 -35.44 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.03 1.332 . . . . 73.31 108.718 -176.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.1 mt -59.44 -36.84 76.68 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-O 118.523 -0.751 . . . . 74.23 111.039 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.57 14.94 64.16 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-O 117.481 -1.733 . . . . 72.42 113.927 -178.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.16 -34.2 0.43 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.44 1.62 . . . . 74.12 113.758 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 tp -93.95 14.74 18.71 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.221 1.408 . . . . 73.25 111.254 -176.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.71 53.47 0.93 Allowed Pre-proline 0 CA--C 1.544 0.728 0 N-CA-C 114.752 1.39 . . . . 73.52 114.752 -170.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -70.41 -24.49 26.65 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 121.908 1.738 . . . . 72.44 112.909 169.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -124.9 -24.48 4.08 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 120.262 1.392 . . . . 70.44 113.784 -174.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.83 108.28 5.56 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 108.24 -1.022 . . . . 73.14 108.24 170.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.1 t -80.05 120.84 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 N-CA-C 106.283 -1.747 . . . . 64.31 106.283 160.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -97.2 -178.73 4.28 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.07 0.948 . . . . 70.54 111.03 169.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.0 m -110.47 160.35 16.68 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.39 1.476 . . . . 70.53 109.624 163.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.1 p -62.94 -24.66 67.97 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 121.179 -0.95 . . . . 73.43 111.614 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.5 p -56.02 -46.1 78.92 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.829 0.851 . . . . 71.53 110.964 170.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -83.89 -26.26 29.55 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 125.031 1.333 . . . . 70.21 109.768 -170.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.4 t -91.47 87.89 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 C-N-CA 124.6 1.16 . . . . 74.54 109.532 172.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.72 115.39 4.72 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.007 -0.997 . . . . 63.3 108.32 169.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.6 t -117.04 131.66 69.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 125.196 1.398 . . . . 72.14 108.679 162.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.0 mt -87.9 130.24 37.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 105.429 -2.063 . . . . 74.02 105.429 163.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.42 147.46 35.19 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 108.45 -0.944 . . . . 72.34 108.45 168.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -65.74 161.06 21.58 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.465 1.106 . . . . 73.13 110.576 171.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.9 ttmt -115.02 14.68 17.19 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 120.422 -1.423 . . . . 74.23 113.025 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -130.35 -42.29 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 126.359 1.864 . . . . 73.23 110.198 -172.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.5 t -102.39 -14.4 16.91 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.489 1.115 . . . . 71.34 109.288 173.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 73.11 -13.73 0.67 Allowed 'General case' 0 C--O 1.234 0.271 0 C-N-CA 127.187 2.195 . . . . 73.55 114.178 -170.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.8 mt -60.36 178.07 0.23 Allowed 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.181 1.355 . . . . 74.52 113.276 -170.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -95.0 164.73 12.77 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 120.349 -1.469 . . . . 73.43 109.192 169.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -78.55 -14.04 59.54 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.04 1.126 . . . . 74.11 114.04 -173.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.77 14.14 25.9 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 125.969 1.747 . . . . 73.03 113.832 -178.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -151.74 172.79 15.57 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 121.091 -1.24 . . . . 73.31 109.215 178.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -153.11 168.67 25.15 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.333 1.453 . . . . 73.02 108.693 170.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -131.2 120.24 22.99 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 124.846 1.259 . . . . 72.21 107.96 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.0 mt -91.97 118.11 36.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 126.853 2.061 . . . . 63.1 107.085 174.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.31 129.79 42.32 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.466 1.507 . . . . 71.33 107.195 173.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.9 mt -135.89 -154.86 0.59 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.025 1.73 . . . . 73.3 108.213 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 t -98.08 163.85 12.58 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.082 1.353 . . . . 71.3 108.544 173.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 58.3 p -61.74 -14.94 36.74 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.264 1.826 . . . . 74.24 115.22 -172.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.3 mt -118.02 -43.67 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 125.713 1.605 . . . . 74.43 108.5 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -56.62 -47.64 79.22 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 124.391 1.076 . . . . 74.21 110.09 -175.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.72 -53.05 43.66 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.463 0.574 . . . . 72.42 110.668 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.34 -51.44 68.81 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.109 0.963 . . . . 74.14 111.112 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -61.51 -49.83 75.17 Favored 'General case' 0 C--O 1.231 0.106 0 O-C-N 121.563 -0.711 . . . . 74.23 111.056 -175.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -44.47 96.21 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.49 1.116 . . . . 73.12 109.814 -177.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.9 tp -52.73 -46.52 67.46 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 109.989 -0.374 . . . . 73.21 109.989 178.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -62.62 -27.87 69.51 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 113.578 0.955 . . . . 65.24 113.578 -176.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 63.9 mt -61.51 -62.15 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 107.486 -1.301 . . . . 71.04 107.486 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -57.24 -30.34 64.54 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 118.759 0.709 . . . . 72.41 112.696 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -75.9 -25.99 56.58 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 121.682 -0.637 . . . . 72.14 112.397 176.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.19 -29.58 28.44 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 112.618 0.599 . . . . 73.03 112.618 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 pp -93.13 -163.43 1.05 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.039 1.336 . . . . 64.24 110.95 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -57.51 159.11 9.67 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 123.787 0.835 . . . . 73.22 111.586 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -63.34 167.49 12.82 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.414 2.743 . . . . 72.45 112.556 176.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -62.9 158.49 42.7 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.573 2.848 . . . . 73.42 111.966 -178.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.09 179.95 4.71 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 123.103 1.43 . . . . 74.44 111.707 175.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.58 152.72 50.56 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 126.833 2.053 . . . . 70.23 106.44 171.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -133.05 14.52 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 124.754 1.222 . . . . 74.33 110.327 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.415 ' HB2' ' HZ1' ' A' ' 78' ' ' LYS . 0.7 OUTLIER -173.94 28.0 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.918 0 O-C-N 120.927 -1.108 . . . . 65.34 111.16 -175.507 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.43 21.21 77.44 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-O 118.016 -1.435 . . . . 45.31 114.051 -173.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.415 ' HZ1' ' HB2' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -116.86 109.86 17.62 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 120.468 2.134 . . . . 64.22 108.619 174.544 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 m -66.91 115.03 6.21 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 121.044 1.747 . . . . 72.04 107.53 170.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.3 mm -56.07 142.78 10.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 108.392 -0.966 . . . . 74.35 108.392 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.17 152.28 18.7 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 106.47 -1.678 . . . . 72.31 106.47 166.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.9 t -123.65 144.2 34.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 106.661 -1.607 . . . . 72.24 106.661 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -141.57 167.65 21.66 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 125.613 1.565 . . . . 64.22 108.996 173.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -126.85 95.34 4.29 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 124.734 1.214 . . . . 72.03 110.071 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.88 79.5 6.4 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 122.481 1.134 . . . . 64.02 108.437 169.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -94.8 90.94 6.23 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 124.594 1.158 . . . . 74.22 108.445 172.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.88 75.76 0.89 Allowed Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.406 -1.478 . . . . 53.51 109.406 167.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.1 m . . . . . 0 C--O 1.251 1.175 0 N-CA-C 108.285 -1.005 . . . . 64.0 108.285 154.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.616 0 N-CA-C 110.698 -0.961 . . . . 74.03 110.698 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 55.0 p-80 -141.61 69.2 1.33 Allowed 'General case' 0 C--O 1.231 0.113 0 CA-C-N 118.723 1.262 . . . . 75.21 108.714 171.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 60.3 mtt -58.49 128.51 37.52 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 107.423 -1.325 . . . . 75.2 107.423 168.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 75.25 94.53 0.07 Allowed 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 126.702 2.001 . . . . 73.02 112.279 164.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.1 m -144.72 143.07 30.52 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 106.201 -1.778 . . . . 75.02 106.201 170.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.4 mt -115.24 121.19 66.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 N-CA-C 103.787 -2.672 . . . . 74.12 103.787 174.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.2 mt -98.32 147.11 7.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 N-CA-C 105.642 -1.984 . . . . 64.02 105.642 177.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mp -112.77 150.31 31.78 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 125.061 1.344 . . . . 60.42 107.379 173.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -134.14 170.28 15.91 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.377 1.071 . . . . 75.42 109.161 -177.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.7 t30 67.3 17.22 10.21 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 126.287 1.835 . . . . 70.14 112.17 178.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.45 133.4 52.42 Favored 'General case' 0 N--CA 1.446 -0.652 0 O-C-N 119.727 -1.858 . . . . 74.43 106.95 171.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -69.16 157.37 89.47 Favored Pre-proline 0 N--CA 1.443 -0.816 0 C-N-CA 124.567 1.147 . . . . 75.11 109.235 169.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -59.78 -35.37 94.53 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.87 2.38 . . . . 75.11 111.239 176.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -77.03 -14.11 59.87 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.535 1.134 . . . . 65.31 113.346 -178.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.93 158.31 4.97 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 119.923 1.238 . . . . 74.25 109.698 -178.129 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.0 t -144.55 154.76 43.2 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 106.777 -1.564 . . . . 71.41 106.777 167.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.4 ptp -65.71 -29.23 69.74 Favored 'General case' 0 C--O 1.211 -0.933 0 C-N-CA 124.162 0.985 . . . . 73.55 109.451 -172.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -70.48 -33.2 70.97 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.583 0.706 . . . . 74.24 109.99 -178.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.8 t -78.78 -47.97 15.71 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.225 1.41 . . . . 43.32 108.66 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mt -55.15 -45.85 77.4 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 N-CA-C 109.166 -0.679 . . . . 72.14 109.166 171.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.2 mt -61.45 -20.35 63.03 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.189 0.904 . . . . 74.52 112.888 177.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.57 -15.07 57.5 Favored Glycine 0 CA--C 1.527 0.798 0 CA-C-N 119.195 0.907 . . . . 73.43 113.968 -178.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -142.6 12.98 1.93 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 119.143 1.471 . . . . 71.11 113.716 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.4 tp -129.11 29.26 5.19 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.763 1.225 . . . . 74.41 109.187 170.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.95 52.66 0.71 Allowed Pre-proline 0 CA--C 1.557 1.226 0 C-N-CA 124.421 1.088 . . . . 70.53 113.035 176.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -77.7 -21.51 11.21 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.953 2.435 . . . . 74.25 114.563 173.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.41 ' HH ' ' CD2' ' A' ' 70' ' ' HIS . 1.7 m-85 -134.59 -58.12 0.83 Allowed 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.928 1.24 . . . . 74.03 109.685 -174.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.86 149.96 27.62 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.011 0.924 . . . . 74.24 109.453 176.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 t -144.2 101.68 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 106.461 -1.681 . . . . 75.25 106.461 -173.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -72.74 163.4 28.16 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 112.429 0.529 . . . . 73.52 112.429 -172.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.9 m -90.18 33.0 0.89 Allowed 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.363 1.465 . . . . 72.54 112.511 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.61 -61.95 0.39 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.851 1.66 . . . . 71.32 112.215 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 t -56.6 -34.71 67.48 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.628 1.558 . . . . 73.41 112.037 -177.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -52.92 -24.56 9.52 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.337 1.055 . . . . 74.52 112.908 177.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.6 t -98.9 133.54 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-O 122.035 0.921 . . . . 75.53 109.138 -173.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.09 86.89 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 126.577 1.951 . . . . 63.43 107.386 173.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.1 t -85.28 102.4 11.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 N-CA-C 104.852 -2.277 . . . . 73.41 104.852 161.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.4 mt -75.39 131.02 35.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 105.85 -1.907 . . . . 74.12 105.85 169.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.67 160.41 22.57 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.092 1.357 . . . . 75.45 110.457 169.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -79.02 158.53 27.89 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 112.039 0.385 . . . . 71.52 112.039 -169.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -30.53 65.41 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 114.764 1.394 . . . . 75.34 114.764 176.009 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -102.01 -52.72 3.1 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 108.489 -0.93 . . . . 75.14 108.489 -176.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.9 p -78.97 -17.97 54.51 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 120.618 -0.433 . . . . 61.42 111.1 -168.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 57.32 14.77 2.29 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.298 1.839 . . . . 75.42 112.579 -167.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.9 mt -96.67 150.05 21.11 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 123.467 0.707 . . . . 74.54 109.115 -177.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -62.19 163.28 8.41 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 123.148 0.579 . . . . 62.33 110.923 -177.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -84.73 14.51 4.64 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.017 -1.052 . . . . 75.11 112.59 171.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.36 12.74 64.03 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 126.277 1.894 . . . . 55.14 115.956 173.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -141.84 163.0 34.08 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 126.117 1.767 . . . . 71.42 107.363 163.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -145.06 165.81 27.16 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.069 -1.086 . . . . 64.11 108.069 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -132.14 129.68 40.16 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.714 -1.587 . . . . 74.42 106.714 -170.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.3 mt -97.72 131.41 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 106.038 -1.838 . . . . 72.55 106.038 171.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -108.68 99.86 9.17 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 105.033 -2.21 . . . . 75.51 105.033 174.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.6 mt -120.07 171.66 8.3 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 124.313 1.045 . . . . 75.43 108.566 173.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 m -72.07 166.67 21.81 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 127.076 2.151 . . . . 74.44 111.727 -172.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.3 m -61.95 -32.98 73.45 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.968 0.907 . . . . 60.11 111.659 -174.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 58.9 mt -82.09 -53.94 10.82 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.156 0 O-C-N 121.532 -0.73 . . . . 75.34 109.127 170.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -65.18 -45.3 85.4 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 122.591 0.357 . . . . 71.13 111.288 -160.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.5 -48.7 79.88 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.385 -0.598 . . . . 75.44 109.385 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.72 -53.39 58.32 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.673 0.789 . . . . 75.32 111.139 179.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -58.98 -58.68 7.6 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 123.577 0.751 . . . . 71.11 109.899 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -52.01 -53.39 42.33 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.995 0.918 . . . . 75.23 109.15 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -51.81 -51.34 57.21 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 118.429 0.559 . . . . 75.24 110.176 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -61.09 -37.24 82.02 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 120.135 -0.626 . . . . 74.03 109.703 -171.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 57.6 mt -55.4 -53.68 33.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.76 1.224 . . . . 74.42 109.62 173.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -58.42 -26.95 63.84 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.653 1.115 . . . . 74.41 112.728 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -85.46 13.1 7.18 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.099 0.96 . . . . 70.45 112.612 -175.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -141.65 14.5 2.14 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.339 0.656 . . . . 71.01 112.246 -174.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 pp -142.99 -178.6 5.91 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.659 1.184 . . . . 72.42 112.274 -167.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.41 ' CD2' ' HH ' ' A' ' 27' ' ' TYR . 11.3 p-80 -64.21 145.28 98.21 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 126.289 1.836 . . . . 73.43 112.877 -175.06 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -67.67 162.94 37.1 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 122.88 2.387 . . . . 70.25 113.443 -167.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -68.16 151.66 76.85 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.718 2.278 . . . . 72.53 112.027 -173.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -87.95 134.48 33.71 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.672 1.989 . . . . 74.45 107.239 175.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.8 t -83.9 161.33 20.89 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.069 -1.019 . . . . 74.51 110.856 -176.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -132.49 13.56 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 123.851 0.86 . . . . 73.31 110.949 -179.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -171.68 41.07 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 107.443 -1.317 . . . . 72.23 107.443 171.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.66 -13.72 1.6 Allowed Glycine 0 CA--C 1.534 1.272 0 O-C-N 120.269 -1.519 . . . . 71.45 115.058 -177.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.54 108.35 17.26 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 119.841 1.821 . . . . 73.33 111.28 178.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.93 128.64 37.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 121.009 1.732 . . . . 70.24 109.845 177.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.4 mm -66.83 165.2 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 124.119 0.968 . . . . 74.11 109.387 -177.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -130.06 158.18 40.32 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 126.078 1.751 . . . . 71.33 108.251 170.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.2 t -124.36 151.97 29.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 125.787 1.635 . . . . 72.33 108.026 -175.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -151.68 175.35 12.47 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.573 1.949 . . . . 74.04 110.571 168.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -134.21 89.05 2.52 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 125.847 1.659 . . . . 71.24 107.114 -173.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.61 64.32 8.45 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 107.471 -1.307 . . . . 74.42 107.471 174.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.93 74.78 6.66 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 106.484 -1.673 . . . . 75.01 106.484 177.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -75.23 72.13 1.69 Allowed Glycine 0 C--N 1.334 0.428 0 C-N-CA 125.704 1.621 . . . . 71.32 110.279 -173.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 116.543 -1.694 . . . . 73.41 110.036 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.604 0 N-CA-C 110.244 -1.142 . . . . 74.42 110.244 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -54.81 -35.85 64.34 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 122.973 0.509 . . . . 72.44 111.436 171.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.37 82.88 1.3 Allowed 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.005 -0.739 . . . . 72.12 109.005 173.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 174.78 109.0 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.613 1.565 . . . . 62.21 107.792 167.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.4 m -133.03 140.63 47.83 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 125.791 1.637 . . . . 73.42 107.15 172.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 55.5 mt -104.96 136.94 36.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 N-CA-C 105.237 -2.134 . . . . 75.23 105.237 163.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.6 mp -110.63 157.53 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 106.855 -1.535 . . . . 73.32 106.855 168.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.84 153.01 46.22 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.01 1.324 . . . . 73.53 107.512 176.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -132.3 163.96 27.5 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.375 -0.602 . . . . 62.12 109.375 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 62.6 t30 67.1 42.33 2.38 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.262 1.425 . . . . 72.31 111.911 177.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.75 112.04 18.55 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 106.978 -1.489 . . . . 75.33 106.978 174.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.422 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 1.6 m-20 -53.17 153.41 6.67 Favored Pre-proline 0 N--CA 1.471 0.586 0 N-CA-C 108.998 -0.741 . . . . 75.35 108.998 174.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -58.08 -38.12 92.94 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.843 2.362 . . . . 73.41 110.929 175.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -62.0 -13.7 28.23 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.845 2.058 . . . . 74.15 115.51 175.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.0 m -84.14 166.33 17.71 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 120.205 1.366 . . . . 60.34 110.326 176.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 t -147.29 -74.69 0.2 Allowed 'General case' 0 C--O 1.233 0.19 0 O-C-N 121.507 -0.746 . . . . 73.52 109.101 173.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.4 ttp -160.67 -57.22 0.05 Allowed 'General case' 0 CA--C 1.508 -0.666 0 C-N-CA 126.181 1.793 . . . . 72.33 108.596 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -56.59 -35.92 68.79 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.541 -0.754 . . . . 62.41 110.398 -176.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.3 m -83.18 23.19 0.9 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 123.229 1.49 . . . . 65.53 114.801 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 54.9 mt -135.11 -47.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 C-N-CA 128.336 2.654 . . . . 74.13 106.967 177.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.5 mt -65.72 -15.64 63.01 Favored 'General case' 0 C--O 1.226 -0.163 0 N-CA-C 114.628 1.344 . . . . 74.21 114.628 -174.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -88.08 -13.94 63.34 Favored Glycine 0 CA--C 1.531 1.034 0 CA-C-O 119.0 -0.889 . . . . 63.44 113.68 171.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.47 -16.17 2.1 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 114.732 1.382 . . . . 74.42 114.732 -161.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.5 tp -113.21 22.47 14.26 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.566 1.946 . . . . 74.53 109.33 174.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -123.61 55.18 8.24 Favored Pre-proline 0 CA--C 1.543 0.675 0 C-N-CA 125.764 1.626 . . . . 71.14 111.99 -174.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -69.15 -48.54 0.82 Allowed 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 121.997 1.798 . . . . 74.21 110.825 170.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -104.43 -24.23 13.08 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.963 1.705 . . . . 61.42 113.607 -177.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -137.3 102.07 4.7 Favored 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 123.295 0.638 . . . . 74.13 110.635 -178.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.1 t -69.9 129.12 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 N-CA-C 105.582 -2.007 . . . . 71.41 105.582 151.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.7 mt -98.4 161.31 13.75 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.672 -1.233 . . . . 75.21 107.672 165.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.3 m -72.01 -69.38 0.4 Allowed 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 108.547 -0.908 . . . . 75.15 108.547 -172.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.4 m 174.92 -46.59 0.01 OUTLIER 'General case' 0 C--O 1.227 -0.103 0 C-N-CA 130.042 3.337 . . . . 74.15 107.187 168.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.5 p -61.64 -24.24 66.59 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.886 0.767 . . . . 75.32 112.449 -177.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -53.02 -34.29 55.69 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 125.486 1.514 . . . . 71.51 112.321 171.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.4 t -97.4 109.47 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 123.68 0.792 . . . . 72.51 108.946 -166.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.57 123.65 38.13 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 107.934 -1.136 . . . . 74.11 107.934 170.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 t -128.43 111.42 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 106.447 -1.686 . . . . 72.13 106.447 169.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.3 mt -64.41 116.1 3.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 106.264 -1.754 . . . . 73.23 106.264 174.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.82 147.64 26.63 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.9 -1.148 . . . . 74.44 107.9 170.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.65 164.75 9.2 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.605 0.595 . . . . 74.25 112.605 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -79.68 -52.29 8.14 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 121.4 -0.813 . . . . 73.32 110.828 170.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.81 -50.43 7.14 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 109.252 -0.647 . . . . 73.55 109.252 -175.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.7 p -81.46 -16.7 51.18 Favored 'General case' 0 C--N 1.334 -0.079 0 C-N-CA 119.444 -0.902 . . . . 74.11 110.995 -166.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 66.04 14.63 9.71 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 127.307 2.243 . . . . 62.35 113.375 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.9 mt -111.65 158.27 19.46 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 120.083 1.31 . . . . 73.43 111.439 -172.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -60.67 156.9 15.7 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.585 0.754 . . . . 71.55 109.675 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -82.3 16.04 2.19 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.977 0.732 . . . . 64.34 112.977 173.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.93 13.08 82.84 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 125.445 1.498 . . . . 73.12 114.799 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -147.55 162.27 39.42 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 125.438 1.495 . . . . 72.11 108.551 171.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -148.92 171.3 16.55 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 126.059 1.744 . . . . 74.43 109.176 -175.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -141.59 153.98 45.14 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.317 1.447 . . . . 74.25 108.809 -172.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.9 mt -130.52 130.39 64.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 C-N-CA 127.716 2.407 . . . . 75.31 108.566 175.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.76 121.63 45.66 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 126.373 1.869 . . . . 72.25 107.37 177.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.1 mt -137.81 179.39 6.46 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 126.548 1.939 . . . . 73.34 108.994 -177.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.5 t -65.87 165.88 12.2 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.716 0.807 . . . . 75.42 110.435 170.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 59.9 m -54.35 -24.62 20.16 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 131.458 3.903 . . . . 74.41 116.167 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.4 mm -119.33 -31.52 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 124.424 1.09 . . . . 75.03 109.911 -173.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -66.53 -49.9 64.96 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 125.026 1.331 . . . . 64.31 110.686 -174.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.32 -45.75 90.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.575 -0.726 . . . . 75.54 109.242 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.78 -64.86 0.73 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.784 0.834 . . . . 74.02 110.484 174.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -51.34 -53.45 36.0 Favored 'General case' 0 N--CA 1.461 0.1 0 CA-C-N 118.76 0.709 . . . . 72.44 111.01 -175.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.62 -41.57 83.75 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.997 0.362 . . . . 72.44 110.914 -175.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -53.74 -48.12 69.97 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 121.489 -0.757 . . . . 75.22 109.372 174.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -59.89 -38.54 82.55 Favored 'General case' 0 N--CA 1.445 -0.689 0 O-C-N 123.95 0.781 . . . . 64.02 108.98 -170.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . 0.28 73.6 mt -47.63 -67.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.127 0 C-N-CA 126.291 1.836 . . . . 74.22 110.383 173.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -58.88 -20.63 53.09 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.761 1.164 . . . . 74.03 113.654 -177.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -95.12 -14.73 23.92 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.311 -0.868 . . . . 63.15 112.085 -178.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -115.8 14.55 16.32 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.848 1.259 . . . . 72.15 111.631 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.2 pp -135.24 138.66 43.77 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 107.926 -1.138 . . . . 72.41 107.926 164.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . 0.27 0.6 OUTLIER 49.75 166.93 0.03 OUTLIER Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 127.494 2.317 . . . . 74.41 116.499 160.361 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -73.01 155.32 52.83 Favored 'Trans proline' 0 N--CA 1.448 -1.174 0 O-C-N 118.718 -1.254 . . . . 71.24 109.442 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -61.51 149.31 90.24 Favored 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 122.367 2.045 . . . . 71.05 111.457 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.467 HD13 ' H ' ' A' ' 74' ' ' THR . 0.4 OUTLIER -94.36 174.46 7.12 Favored 'General case' 0 C--O 1.238 0.5 0 C-N-CA 125.197 1.399 . . . . 72.33 108.032 -171.509 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.467 ' H ' HD13 ' A' ' 73' ' ' LEU . 8.2 t -148.13 156.66 42.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.162 -0.961 . . . . 74.14 109.24 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -131.79 14.49 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 124.025 0.93 . . . . 74.55 110.128 177.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -166.82 31.21 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.332 -0.855 . . . . 74.45 111.848 177.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.56 13.49 31.11 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 126.028 1.775 . . . . 64.15 114.935 -170.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.422 ' HE3' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -101.37 107.04 18.27 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 125.398 1.479 . . . . 75.24 108.724 168.828 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.4 112.69 4.17 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 108.293 -1.003 . . . . 74.44 108.293 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.0 mm -76.5 121.85 29.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 N-CA-C 107.413 -1.329 . . . . 72.54 107.413 -173.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -76.81 157.96 31.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.313 -0.858 . . . . 74.12 108.844 172.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.6 t -140.49 134.34 34.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 106.841 -1.54 . . . . 74.51 106.841 -175.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -132.71 167.0 20.9 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 127.237 2.215 . . . . 72.13 109.446 -173.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -136.67 80.72 1.83 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.982 0.913 . . . . 74.32 109.59 -168.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.36 86.11 7.4 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 122.713 1.244 . . . . 55.34 108.607 174.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -70.75 144.62 50.86 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.929 -1.138 . . . . 73.05 107.929 168.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.72 100.3 0.82 Allowed Glycine 0 CA--C 1.519 0.296 0 N-CA-C 106.945 -2.462 . . . . 73.03 106.945 170.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 C--O 1.256 1.443 0 N-CA-C 104.271 -2.492 . . . . 73.45 104.271 -179.181 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.77 0 N-CA-C 108.702 -1.759 . . . . 64.42 108.702 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -130.22 -72.47 0.57 Allowed 'General case' 0 C--N 1.341 0.237 0 CA-C-N 118.548 1.174 . . . . 75.43 111.43 178.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.9 ttm -167.24 93.07 0.42 Allowed 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 103.414 -2.81 . . . . 75.05 103.414 174.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 42.63 83.23 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 131.038 3.735 . . . . 71.31 107.757 168.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 51.6 m -126.95 124.14 38.78 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.998 1.319 . . . . 73.24 108.27 -170.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.2 mt -95.42 122.79 47.21 Favored 'Isoleucine or valine' 0 C--N 1.34 0.154 0 N-CA-C 106.922 -1.51 . . . . 74.32 106.922 175.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.7 mp -99.43 140.49 18.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 107.931 -1.137 . . . . 72.55 107.931 173.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.9 mt -103.98 160.29 14.94 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 124.456 1.102 . . . . 74.52 109.056 171.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -140.74 175.4 9.64 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.049 1.74 . . . . 73.52 108.409 -176.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.3 t30 49.62 42.0 22.48 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 122.881 1.324 . . . . 74.3 111.181 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 40.7 mt -84.19 121.84 28.03 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 104.564 -2.384 . . . . 73.22 104.564 170.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.603 ' H ' ' HE2' ' A' ' 78' ' ' LYS . 1.3 m-20 -69.98 152.45 95.89 Favored Pre-proline 0 CA--C 1.519 -0.235 0 N-CA-C 108.194 -1.039 . . . . 62.44 108.194 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -63.1 -32.12 75.26 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 123.383 2.722 . . . . 75.5 111.644 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 -69.63 -12.96 62.06 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.454 1.902 . . . . 65.51 113.675 174.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.2 m -80.75 153.88 27.54 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 122.584 1.183 . . . . 74.14 110.919 170.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.8 t -121.34 168.63 11.44 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 128.851 2.86 . . . . 53.21 104.634 166.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.0 ttp -46.1 -52.9 11.26 Favored 'General case' 0 C--O 1.211 -0.934 0 C-N-CA 125.608 1.563 . . . . 72.54 107.508 169.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -64.3 -16.06 61.42 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.43 1.27 . . . . 74.51 114.43 -172.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.95 -56.29 4.8 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.717 0.77 . . . . 73.43 109.4 168.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.2 mt -72.08 -52.7 23.15 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.216 0 N-CA-C 108.471 -0.937 . . . . 73.22 108.471 -170.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.6 tp -62.28 -20.87 64.73 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 124.026 0.93 . . . . 62.01 112.704 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -99.01 14.02 61.68 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 117.685 -1.62 . . . . 71.21 114.641 176.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -149.28 -34.98 0.18 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 120.133 1.966 . . . . 65.43 113.09 178.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.8 tp -78.24 18.25 0.55 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.998 1.319 . . . . 74.31 110.691 176.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.87 57.06 1.7 Allowed Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 125.436 1.494 . . . . 63.33 112.215 -178.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.92 -34.67 6.31 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 121.779 1.652 . . . . 71.14 112.356 170.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -124.92 -23.83 4.2 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.829 0.851 . . . . 73.04 112.769 -172.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -133.29 110.86 10.37 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.551 0.74 . . . . 74.42 109.933 168.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.0 t -83.72 122.77 38.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 N-CA-C 106.052 -1.833 . . . . 74.21 106.052 158.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -95.42 166.05 12.06 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.3 1.04 . . . . 75.32 109.481 165.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.4 t -81.96 161.61 22.99 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.697 0.761 . . . . 72.44 110.525 163.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -56.19 -41.09 75.01 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.527 1.531 . . . . 74.44 111.815 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 t -62.94 -34.51 77.63 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.046 -1.034 . . . . 75.12 110.815 -176.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -72.52 -14.63 61.69 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.957 1.703 . . . . 75.01 111.016 -178.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.9 t -122.63 88.66 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.308 0 C-N-CA 125.277 1.431 . . . . 75.1 110.33 -171.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.07 100.71 5.79 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 121.204 -0.935 . . . . 74.02 109.565 -178.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.8 t -91.65 108.39 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 125.134 1.374 . . . . 63.31 107.939 169.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.5 mt -69.53 141.16 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 108.028 -1.101 . . . . 75.43 108.028 170.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.38 142.23 51.19 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 124.181 0.992 . . . . 74.21 109.656 167.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.49 164.91 24.33 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 118.657 0.662 . . . . 75.44 111.621 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -83.56 -59.88 2.3 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.195 -0.669 . . . . 72.4 109.195 177.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.86 -53.47 53.63 Favored 'General case' 0 C--O 1.233 0.184 0 O-C-N 123.711 0.632 . . . . 75.12 109.298 -168.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.426 ' C ' ' H ' ' A' ' 45' ' ' LEU . 60.3 p -78.5 -22.13 47.88 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.711 0.404 . . . . 72.42 110.765 -174.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 66.14 -13.3 0.16 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.709 1.604 . . . . 73.43 113.458 -169.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.426 ' H ' ' C ' ' A' ' 43' ' ' THR . 51.7 mt -65.11 -167.53 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 129.508 3.123 . . . . 72.43 111.107 176.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -105.22 168.82 8.82 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.822 1.249 . . . . 63.13 112.33 175.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.7 -13.65 41.94 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.766 1.626 . . . . 75.21 112.096 177.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.17 13.33 56.3 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 124.387 0.994 . . . . 63.22 114.251 169.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -142.41 161.07 39.0 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 125.505 1.522 . . . . 71.31 107.727 170.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -158.71 165.31 34.66 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 124.317 1.047 . . . . 72.31 109.333 -177.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -125.39 111.03 14.66 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 124.763 1.225 . . . . 72.21 109.829 -160.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.9 mt -87.28 128.8 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 125.813 1.645 . . . . 74.4 107.727 169.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.25 142.8 48.72 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.959 1.303 . . . . 75.45 109.019 170.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.0 mt -147.17 179.61 7.51 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.012 1.725 . . . . 74.35 109.073 -177.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.47 160.51 8.75 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 109.067 -0.716 . . . . 72.23 109.067 162.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 p -61.03 -60.88 3.08 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.131 0.572 . . . . 55.43 110.166 -172.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.0 mt -62.38 -42.86 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-O 118.036 -0.983 . . . . 71.15 110.823 178.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -49.55 -57.23 7.49 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 123.84 0.856 . . . . 74.34 109.745 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.92 -53.66 55.7 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.015 1.326 . . . . 72.32 110.237 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.59 -49.73 76.64 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 125.09 1.356 . . . . 72.13 110.986 -172.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -60.5 -53.05 62.26 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 118.671 -0.681 . . . . 74.14 109.855 175.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.5 tp -53.34 -44.77 68.75 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 123.62 0.768 . . . . 73.32 111.193 -173.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.0 tp -51.67 -52.13 50.45 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 118.392 0.542 . . . . 62.0 111.055 174.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -66.16 -26.1 67.26 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 122.926 0.49 . . . . 75.32 111.538 -174.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.03 -60.17 3.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 107.787 -1.19 . . . . 71.3 107.787 171.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.09 -19.68 63.22 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.16 1.384 . . . . 74.13 113.243 -179.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -91.51 12.83 19.51 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 120.314 1.415 . . . . 74.13 112.653 176.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.85 -45.55 1.59 Allowed 'General case' 0 C--O 1.234 0.286 0 O-C-N 121.427 -0.796 . . . . 62.23 111.579 -174.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 pp -72.38 -171.03 0.72 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.263 1.425 . . . . 72.22 111.328 172.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -53.05 165.29 0.61 Allowed Pre-proline 0 CA--C 1.546 0.806 0 C-N-CA 128.492 2.717 . . . . 74.01 115.457 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -67.28 164.29 31.07 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.612 2.208 . . . . 74.21 112.184 178.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -67.77 153.12 76.62 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 122.763 2.308 . . . . 72.24 112.887 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -82.8 126.99 33.04 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 128.003 2.521 . . . . 63.44 108.294 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.98 146.67 23.67 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.587 1.155 . . . . 74.31 108.186 -177.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.16 13.68 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 122.884 0.473 . . . . 71.32 111.516 -174.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.442 ' CB ' ' HE3' ' A' ' 78' ' ' LYS . 0.4 OUTLIER -169.32 33.82 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.621 1.168 . . . . 72.52 109.313 176.499 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.59 24.19 67.66 Favored Glycine 0 CA--C 1.533 1.174 0 O-C-N 120.525 -1.359 . . . . 74.1 113.918 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.603 ' HE2' ' H ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -120.64 113.39 20.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 127.668 2.387 . . . . 72.2 108.296 175.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.53 123.44 25.47 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 119.0 -1.08 . . . . 72.52 108.869 176.183 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 14.3 mm -64.58 164.51 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 124.538 1.135 . . . . 71.14 108.672 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -129.9 157.12 43.14 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 126.562 1.945 . . . . 74.13 106.41 176.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 39.8 t -119.51 134.86 61.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 106.493 -1.669 . . . . 75.21 106.493 -173.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -134.1 161.24 35.42 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 123.899 0.88 . . . . 74.53 109.526 170.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -135.97 91.42 2.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.431 -1.259 . . . . 75.13 109.661 -172.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.12 76.31 3.48 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 122.214 1.007 . . . . 75.44 109.3 178.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -67.59 144.27 55.67 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.251 -0.648 . . . . 75.01 109.251 -175.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.64 85.94 1.25 Allowed Glycine 0 CA--C 1.52 0.368 0 N-CA-C 108.911 -1.675 . . . . 72.03 108.911 162.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.254 1.336 0 N-CA-C 107.649 -1.241 . . . . 62.22 107.649 166.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.643 0 N-CA-C 110.601 -1.0 . . . . 72.21 110.601 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 11.6 m80 55.05 170.81 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.172 1.789 . . . . 61.34 112.581 -165.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 41.8 mtm -66.43 109.7 2.83 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 107.351 -1.351 . . . . 73.41 107.351 148.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 57.99 84.68 0.1 Allowed 'General case' 0 C--O 1.237 0.415 0 C-N-CA 127.626 2.37 . . . . 75.21 112.725 154.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.8 m -101.03 109.28 21.16 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.646 -0.706 . . . . 73.32 109.416 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.9 mt -79.18 114.49 20.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 N-CA-C 105.427 -2.064 . . . . 74.52 105.427 166.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.3 mt -84.75 137.02 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 108.832 -0.803 . . . . 63.1 108.832 174.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.6 mt -106.59 159.22 16.35 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 124.311 1.044 . . . . 72.13 109.369 170.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 mtp-105 -139.53 172.52 12.69 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 125.261 1.424 . . . . 72.41 110.089 172.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.6 t30 73.07 14.3 4.7 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.728 2.011 . . . . 63.25 112.941 172.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -55.83 125.16 20.14 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 120.515 -1.366 . . . . 73.41 108.967 175.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -69.93 157.96 88.44 Favored Pre-proline 0 C--O 1.236 0.394 0 CA-C-N 118.012 0.369 . . . . 74.23 110.428 176.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -65.08 -27.35 57.39 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 123.372 2.714 . . . . 64.12 112.316 -170.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -114.16 14.11 18.14 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.75 1.22 . . . . 74.51 112.244 -178.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 t -75.94 -24.23 55.49 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.215 -0.928 . . . . 71.34 113.392 -177.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.347 5.3 t 44.45 -164.59 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 128.069 2.548 . . . . 71.22 111.06 -164.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.0 ptm -91.89 -38.55 12.24 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 128.038 2.535 . . . . 73.55 106.148 162.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -71.72 -13.17 61.64 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 125.684 1.593 . . . . 74.15 112.57 -164.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.2 m -122.5 23.61 9.57 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.078 1.351 . . . . 72.21 111.026 175.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 56.6 mt -120.27 -39.61 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 126.861 2.064 . . . . 74.11 110.38 161.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.95 -40.86 45.15 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.863 1.265 . . . . 74.4 112.599 -167.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.1 -18.46 76.57 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-O 118.901 -0.944 . . . . 71.43 114.208 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.44 13.28 11.79 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 118.961 1.381 . . . . 72.23 112.86 -175.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 tt -126.44 39.46 3.93 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.301 1.041 . . . . 74.53 109.133 169.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.25 54.36 14.38 Favored Pre-proline 0 CA--C 1.549 0.909 0 N-CA-C 114.132 1.16 . . . . 72.45 114.132 -176.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -79.89 -21.79 8.0 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 123.123 2.549 . . . . 72.14 114.636 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -132.61 -24.94 1.94 Allowed 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.82 0.737 . . . . 71.53 112.654 -172.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.37 123.35 21.47 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 104.995 -2.224 . . . . 62.44 104.995 178.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.4 t -96.6 71.64 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 107.569 -1.271 . . . . 63.1 107.569 -169.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.0 mt -55.37 158.91 2.96 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 126.919 2.088 . . . . 75.31 111.89 -171.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.2 t -118.95 161.96 19.32 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 122.407 1.099 . . . . 71.32 111.638 170.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 m -52.12 -24.08 6.39 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 128.126 2.57 . . . . 75.4 112.481 173.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 p -77.53 -53.77 7.21 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.101 1.36 . . . . 74.13 111.386 175.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -55.48 -42.55 74.54 Favored 'General case' 0 CA--C 1.51 -0.566 0 C-N-CA 125.189 1.395 . . . . 74.14 111.161 -175.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.6 t -81.2 112.57 19.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.864 0 N-CA-C 106.499 -1.667 . . . . 70.3 106.499 178.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.1 mmt-85 -92.05 126.99 37.35 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.978 1.311 . . . . 74.52 108.076 163.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.8 t -129.19 113.33 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 126.879 2.072 . . . . 65.44 107.761 170.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.3 mt -68.19 104.52 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 N-CA-C 105.746 -1.946 . . . . 75.4 105.746 172.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -85.62 132.93 34.08 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.222 -1.399 . . . . 75.13 107.222 168.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.45 137.07 57.21 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 122.736 0.414 . . . . 74.21 110.478 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -65.29 -31.88 73.25 Favored 'General case' 0 CA--C 1.516 -0.344 0 O-C-N 121.304 -0.872 . . . . 74.44 113.35 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -86.79 -55.05 4.03 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.34 -0.985 . . . . 72.34 108.34 -171.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.401 HG22 ' H ' ' A' ' 45' ' ' LEU . 14.9 t -89.65 -14.15 35.47 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 119.023 -0.513 . . . . 74.54 110.888 -168.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 72.32 -13.06 0.65 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.924 1.29 . . . . 72.34 112.557 -170.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.401 ' H ' HG22 ' A' ' 43' ' ' THR . 17.9 mt -65.71 178.25 1.07 Allowed 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 120.269 1.395 . . . . 74.45 111.327 178.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -88.18 176.41 7.27 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.98 1.312 . . . . 53.32 109.559 166.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -95.46 15.73 18.87 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.662 1.185 . . . . 72.2 113.655 175.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.34 14.49 71.74 Favored Glycine 0 CA--C 1.533 1.185 0 O-C-N 120.231 -1.543 . . . . 61.44 114.218 176.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -142.75 171.41 14.09 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 126.219 1.808 . . . . 74.4 107.754 169.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -148.01 171.28 16.07 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 124.602 1.161 . . . . 65.32 108.726 169.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -131.83 100.24 5.02 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.823 1.649 . . . . 74.41 106.795 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.7 mt -78.36 135.97 24.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 105.67 -1.974 . . . . 73.51 105.67 165.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.2 142.49 33.99 Favored 'General case' 0 N--CA 1.432 -1.371 0 CA-C-N 120.234 1.379 . . . . 74.22 108.434 164.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.9 mt -132.65 -171.04 2.56 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 125.064 1.345 . . . . 72.11 108.716 -166.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.48 147.46 3.35 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.915 -0.402 . . . . 74.43 109.915 150.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.1 p -47.38 -68.28 0.2 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.968 2.107 . . . . 73.1 111.465 177.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.9 mm -61.87 -39.54 83.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 125.397 1.479 . . . . 75.44 110.007 -176.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.46 -53.6 56.53 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.512 0.725 . . . . 75.32 110.047 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.54 -55.48 34.46 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.642 0.777 . . . . 73.21 111.095 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.2 -30.27 69.31 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 112.882 0.697 . . . . 61.23 112.882 -167.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -70.78 -57.46 4.62 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-N 119.275 0.943 . . . . 74.44 109.251 170.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.29 -45.39 65.47 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 124.525 1.13 . . . . 73.02 110.381 -170.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.0 tp -46.41 -53.5 10.93 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.095 0.958 . . . . 74.4 110.787 177.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -65.55 -34.85 79.21 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 118.637 -0.697 . . . . 73.14 112.07 -174.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 56.3 mt -54.1 -54.6 19.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 107.209 -1.404 . . . . 74.32 107.209 174.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.6 mt -59.14 -28.73 66.83 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.229 0.826 . . . . 65.23 113.229 -177.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -86.05 14.24 6.53 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.886 0.874 . . . . 74.04 112.337 -173.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -144.06 14.47 1.68 Allowed 'General case' 0 C--O 1.238 0.458 0 N-CA-C 113.989 1.107 . . . . 73.44 113.989 -172.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 pp -139.3 -173.96 3.74 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.483 1.113 . . . . 74.12 110.991 -172.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -46.66 158.47 0.41 Allowed Pre-proline 0 CA--C 1.538 0.504 0 C-N-CA 125.84 1.656 . . . . 74.01 112.43 176.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -69.66 164.92 32.64 Favored 'Trans proline' 0 CA--C 1.544 0.976 0 C-N-CA 121.518 1.479 . . . . 74.41 112.153 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -70.17 161.59 45.43 Favored 'Trans proline' 0 CA--C 1.544 1.016 0 C-N-CA 122.232 1.954 . . . . 73.25 113.391 -176.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -98.2 116.04 29.58 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 129.409 3.084 . . . . 71.52 108.976 -172.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.26 146.14 25.49 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.486 1.115 . . . . 65.55 109.121 -178.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -128.44 16.73 2.93 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 C-N-CA 124.785 1.234 . . . . 73.25 111.187 178.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -161.39 37.74 0.14 Allowed 'General case' 0 N--CA 1.482 1.162 0 O-C-N 120.028 -1.67 . . . . 71.54 108.523 168.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.99 14.09 58.37 Favored Glycine 0 CA--C 1.537 1.458 0 O-C-N 120.652 -1.28 . . . . 73.23 115.826 -173.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.471 ' HZ1' HD13 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -117.42 98.09 6.23 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 120.54 2.17 . . . . 74.53 109.59 -175.554 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.79 116.66 5.0 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 120.098 -1.626 . . . . 74.41 109.423 177.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.471 HD13 ' HZ1' ' A' ' 78' ' ' LYS . 39.7 mm -66.4 165.22 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 124.997 1.319 . . . . 73.31 109.683 177.109 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -126.5 168.71 13.87 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 125.298 1.439 . . . . 74.3 110.906 -176.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.3 t -128.69 140.79 48.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 N-CA-C 107.974 -1.121 . . . . 73.33 107.974 -177.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -148.93 165.23 32.19 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 127.839 2.456 . . . . 63.42 106.55 171.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -137.83 104.12 5.19 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.842 0.857 . . . . 74.2 111.459 -169.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.3 84.15 1.89 Allowed 'General case' 0 C--O 1.234 0.254 0 C-N-CA 125.17 1.388 . . . . 74.33 108.347 175.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.18 75.13 6.21 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.808 1.243 . . . . 73.44 107.892 176.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.56 75.3 2.4 Favored Glycine 0 CA--C 1.528 0.849 0 CA-C-O 118.851 -0.972 . . . . 74.14 111.704 -174.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 C--O 1.247 0.966 0 C-N-CA 125.77 1.628 . . . . 75.43 113.164 176.549 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 122.866 1.317 . . . . 72.23 111.058 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 56.9 m -139.85 127.42 21.65 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 125.384 1.473 . . . . 74.32 107.778 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.0 mt -85.99 134.4 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 105.19 -2.152 . . . . 70.52 105.19 164.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.5 mt -104.03 150.85 6.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 C-N-CA 125.435 1.494 . . . . 71.13 108.72 170.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.8 mt -117.14 162.0 18.53 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 124.78 1.232 . . . . 70.42 109.066 171.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -145.46 173.6 11.87 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 126.642 1.977 . . . . 74.44 108.597 -177.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.2 t30 60.53 28.25 17.92 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.172 1.389 . . . . 70.42 112.185 169.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.439 HD23 HD12 ' A' ' 80' ' ' ILE . 29.8 mt -73.0 133.86 44.45 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 106.916 -1.513 . . . . 71.35 106.916 171.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.662 ' H ' ' HE2' ' A' ' 78' ' ' LYS . 1.7 m-20 -71.44 161.54 77.86 Favored Pre-proline 0 C--O 1.239 0.511 0 C-N-CA 123.019 0.528 . . . . 70.55 109.676 175.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -54.47 -52.66 7.66 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 123.912 3.075 . . . . 73.12 112.778 174.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -72.02 -14.62 61.93 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.821 1.248 . . . . 63.22 114.27 -173.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.6 m -69.42 167.14 17.21 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 120.944 -1.097 . . . . 71.31 111.634 -174.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.6 t -147.08 169.52 19.09 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 107.049 -1.463 . . . . 61.22 107.049 171.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 59.0 ttp -60.33 -51.3 70.1 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 127.784 2.434 . . . . 73.15 107.641 -174.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.39 -28.34 69.17 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 118.504 0.593 . . . . 61.3 112.17 -175.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.0 m -71.58 -55.59 7.49 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 109.161 -0.681 . . . . 63.44 109.161 175.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.0 mt -55.05 -44.48 74.42 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.154 0 C-N-CA 123.911 0.884 . . . . 62.4 109.993 177.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.405 HD21 HG21 ' A' ' 35' ' ' VAL . 26.6 mt -59.17 -15.69 16.17 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.127 0.788 . . . . 62.2 113.127 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.74 -52.02 4.58 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 119.329 0.968 . . . . 74.44 111.4 172.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -111.9 13.78 20.9 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.476 0.917 . . . . 62.54 113.476 -164.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.8 tp -119.31 14.99 13.04 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 124.636 1.174 . . . . 73.3 110.61 173.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -133.07 54.2 12.8 Favored Pre-proline 0 CA--C 1.54 0.578 0 O-C-N 121.025 -1.047 . . . . 74.2 112.969 -168.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -72.18 -51.57 0.21 Allowed 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 121.784 1.656 . . . . 71.24 111.191 174.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.401 ' CZ ' HD22 ' A' ' 69' ' ' LEU . 92.0 m-85 -75.4 -56.51 4.63 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-O 118.804 -0.617 . . . . 74.41 110.252 -172.041 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.13 153.74 49.06 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.98 1.712 . . . . 74.24 108.912 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.3 t -122.21 116.43 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 106.483 -1.673 . . . . 74.32 106.483 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -64.22 172.39 2.49 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 122.623 0.369 . . . . 70.1 111.251 170.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.9 m -84.9 -85.56 0.14 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.602 -0.888 . . . . 72.33 108.602 165.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.4 p -170.26 -50.63 0.02 OUTLIER 'General case' 0 C--O 1.233 0.204 0 CA-C-N 119.566 1.075 . . . . 54.32 111.325 -168.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 p -63.5 -24.89 68.01 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 121.159 -0.963 . . . . 70.12 110.243 176.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -52.3 -48.44 65.36 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.799 1.24 . . . . 70.52 110.126 172.297 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.405 HG21 HD21 ' A' ' 21' ' ' LEU . 27.0 t -100.38 85.46 1.12 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-O 123.78 1.752 . . . . 64.11 109.667 -159.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.3 mmt-85 -71.95 93.36 1.35 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.887 1.675 . . . . 73.43 109.78 174.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.0 t -95.19 103.03 14.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 N-CA-C 104.189 -2.522 . . . . 74.44 104.189 162.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.0 mt -66.72 143.58 15.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 106.975 -1.491 . . . . 71.11 106.975 169.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.69 149.79 52.37 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.394 1.078 . . . . 64.24 110.661 176.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -63.46 178.67 0.53 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.251 1.82 . . . . 74.24 110.162 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -119.38 -30.55 4.86 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.7 -1.25 . . . . 64.31 112.125 167.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -80.96 -53.47 6.41 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 107.711 -1.218 . . . . 74.51 107.711 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.9 p -83.45 -14.28 52.88 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 121.051 -0.26 . . . . 63.31 110.997 -170.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 53.07 43.26 31.9 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.796 1.239 . . . . 71.55 109.847 -174.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.2 mt -116.81 174.09 6.28 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 124.996 1.318 . . . . 70.22 108.548 174.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -80.5 179.81 7.55 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 124.91 1.284 . . . . 71.32 109.759 172.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -89.55 -13.37 37.46 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.024 0.929 . . . . 73.15 112.848 163.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.92 -21.63 42.69 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-N 119.378 0.99 . . . . 71.53 114.155 169.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -105.78 170.95 7.6 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 121.17 -1.194 . . . . 73.25 108.287 162.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -152.17 175.97 12.04 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 124.546 1.138 . . . . 73.32 109.389 171.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -134.91 141.83 46.4 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.819 1.648 . . . . 72.42 107.699 -175.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.6 mt -121.09 109.8 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 127.777 2.431 . . . . 72.42 106.902 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.07 124.77 36.41 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 106.989 -1.486 . . . . 72.42 106.989 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.406 ' HB2' ' HB2' ' A' ' 59' ' ' ALA . 26.7 mt -141.12 169.34 17.79 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 125.836 1.655 . . . . 72.31 108.798 -178.127 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.4 t -65.66 166.08 11.38 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.857 0.863 . . . . 61.3 110.978 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.4 m -51.86 -29.14 18.46 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 127.775 2.43 . . . . 73.41 114.022 -169.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.2 mt -117.88 -25.88 2.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 125.402 1.481 . . . . 74.13 110.584 -176.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.63 -44.7 85.63 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.88 0.872 . . . . 73.52 111.266 -174.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.406 ' HB2' ' HB2' ' A' ' 54' ' ' LEU . . . -53.8 -54.75 33.95 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 123.626 0.579 . . . . 65.14 109.603 175.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.56 -47.26 76.68 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.3 1.44 . . . . 71.1 112.583 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -60.08 -60.23 4.16 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 118.837 0.744 . . . . 74.5 109.241 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 tt -52.7 -48.59 66.48 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.849 1.26 . . . . 72.53 110.052 -175.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -45.84 92.14 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 118.428 -0.796 . . . . 71.1 111.585 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -59.91 -36.36 76.84 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 120.054 1.297 . . . . 61.52 110.663 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 57.4 mt -51.38 -57.95 2.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 108.528 -0.916 . . . . 72.54 108.528 173.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.57 -16.66 49.95 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 126.079 1.752 . . . . 74.5 114.432 -178.057 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -98.5 13.41 31.9 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 119.614 1.097 . . . . 74.53 111.736 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -129.99 13.29 5.74 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 113.523 0.934 . . . . 70.12 113.523 -174.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.401 HD22 ' CZ ' ' A' ' 27' ' ' TYR . 4.3 pp -154.2 -171.79 3.99 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.729 0.695 . . . . 74.2 111.28 -166.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -46.45 152.61 0.84 Allowed Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 125.568 1.547 . . . . 74.31 113.567 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -64.79 161.65 35.22 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.587 2.192 . . . . 73.2 111.629 -178.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -69.03 167.19 24.19 Favored 'Trans proline' 0 N--CA 1.449 -1.135 0 C-N-CA 122.113 1.875 . . . . 54.13 110.904 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.458 HD23 ' H ' ' A' ' 74' ' ' THR . 0.2 OUTLIER -91.87 -179.46 5.31 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 127.152 2.181 . . . . 74.11 109.845 -172.054 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.458 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -132.76 151.05 52.08 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 124.638 1.175 . . . . 53.43 108.126 169.415 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -131.05 22.02 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 C-N-CA 125.313 1.445 . . . . 70.54 109.52 -178.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.486 ' CB ' ' HE3' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -166.72 -22.8 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 114.021 1.119 . . . . 74.15 114.021 179.558 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.95 13.64 3.6 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 128.662 3.029 . . . . 64.35 111.17 -178.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.662 ' HE2' ' H ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -119.16 111.65 18.52 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 127.582 2.353 . . . . 70.25 109.401 -177.895 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 m -72.66 121.81 20.4 Favored 'General case' 0 C--N 1.332 -0.192 0 O-C-N 121.459 -0.776 . . . . 74.22 109.465 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.439 HD12 HD23 ' A' ' 11' ' ' LEU . 23.1 mm -65.34 160.35 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 119.105 0.866 . . . . 70.2 110.592 -175.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.66 152.57 39.19 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 125.164 1.385 . . . . 50.3 107.432 171.165 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 t -117.02 137.5 50.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 N-CA-C 106.824 -1.546 . . . . 61.31 106.824 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -133.21 164.5 26.93 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 125.28 1.432 . . . . 70.2 108.026 172.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -139.74 116.13 10.6 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 124.225 1.01 . . . . 73.51 108.551 -176.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -117.71 70.79 0.8 Allowed 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 107.938 -1.134 . . . . 64.43 107.938 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.474 0 C-N-CA 124.615 1.166 . . . . 70.43 108.558 173.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 N--CA 1.443 -0.792 0 N-CA-C 108.597 -0.89 . . . . 75.33 108.597 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.6 m -145.76 134.05 21.77 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 127.301 2.24 . . . . 61.01 108.405 147.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.8 mt -103.65 134.1 45.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 104.342 -2.466 . . . . 73.1 104.342 163.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.1 mt -108.25 144.7 16.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 107.485 -1.302 . . . . 74.23 107.485 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.422 HD11 HD11 ' A' ' 52' ' ' ILE . 6.8 mp -111.39 155.41 23.17 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.08 1.352 . . . . 63.54 107.886 173.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 -136.7 173.1 12.07 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 124.657 1.183 . . . . 73.5 108.853 171.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 61.7 t30 60.95 27.37 17.24 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.229 1.812 . . . . 74.32 113.256 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.403 ' CD2' ' H ' ' A' ' 11' ' ' LEU . 0.7 OUTLIER -66.35 115.81 6.69 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 119.69 -1.881 . . . . 75.14 106.216 165.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -58.4 156.64 21.27 Favored Pre-proline 0 C--O 1.236 0.349 0 CA-C-N 118.498 0.59 . . . . 72.4 110.107 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -59.7 -39.96 68.86 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 123.155 2.57 . . . . 64.53 111.923 -172.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -100.44 14.06 32.43 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.267 1.027 . . . . 72.5 112.952 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 73.2 m -74.81 168.24 20.27 Favored 'General case' 0 CA--C 1.53 0.178 0 O-C-N 121.101 -1.0 . . . . 51.21 110.874 167.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 p -124.85 -164.4 1.27 Allowed 'General case' 0 C--O 1.236 0.347 0 C-N-CA 124.02 0.928 . . . . 63.4 108.553 -178.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.8 ptm -88.14 -59.98 2.09 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 107.474 -1.306 . . . . 71.24 107.474 162.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -44.6 -44.43 8.87 Favored 'General case' 0 CA--C 1.521 -0.14 0 C-N-CA 127.611 2.364 . . . . 61.33 113.03 -178.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.7 m -74.26 -23.67 59.17 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.693 0.627 . . . . 64.4 112.693 -174.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.9 mt -85.18 -46.01 17.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 N-CA-C 108.418 -0.956 . . . . 74.41 108.418 169.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.8 mt -59.18 -37.84 78.37 Favored 'General case' 0 C--O 1.227 -0.097 0 C-N-CA 124.563 1.145 . . . . 62.52 111.215 -174.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.32 14.53 49.91 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-O 118.52 -1.155 . . . . 72.11 113.949 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -141.3 -25.4 0.72 Allowed 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.907 1.353 . . . . 64.5 113.028 -178.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 tt -113.27 37.25 3.24 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.879 2.071 . . . . 74.2 108.736 -175.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.48 53.85 1.16 Allowed Pre-proline 0 CA--C 1.551 1.011 0 N-CA-C 114.694 1.368 . . . . 73.44 114.694 174.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -84.12 -16.23 6.28 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 123.61 2.873 . . . . 65.01 115.253 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -133.01 -26.83 1.69 Allowed 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 120.196 1.362 . . . . 73.03 113.608 -175.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.26 155.88 46.69 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 126.364 1.866 . . . . 62.43 106.69 169.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.2 t -140.0 81.55 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 106.629 -1.619 . . . . 64.3 106.629 -167.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.8 mt -66.22 143.43 57.24 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 123.318 0.647 . . . . 71.43 109.991 -167.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.9 m -85.45 37.24 0.68 Allowed 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.657 1.583 . . . . 74.4 111.662 -168.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.9 m 60.19 -64.01 0.06 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 127.408 2.283 . . . . 73.44 114.319 -177.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.4 t -50.14 -35.21 24.96 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 126.773 2.029 . . . . 55.1 111.466 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -50.41 -33.16 19.75 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 118.773 -0.632 . . . . 74.12 111.883 173.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.7 t -108.28 137.82 38.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 119.513 1.051 . . . . 73.11 111.626 -162.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.51 90.26 2.97 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 126.533 1.933 . . . . 75.42 108.657 -176.178 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.6 t -87.36 97.57 6.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 105.449 -2.056 . . . . 72.33 105.449 160.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.2 mt -78.3 138.19 20.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 107.172 -1.418 . . . . 62.44 107.172 176.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -85.4 158.46 20.23 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 123.182 0.593 . . . . 75.23 110.701 173.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.69 -174.77 0.11 Allowed 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 124.538 1.135 . . . . 61.15 113.194 172.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -108.99 -29.77 8.41 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.725 1.61 . . . . 75.55 112.99 169.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -101.36 -46.44 5.01 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.273 0.629 . . . . 61.51 109.466 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.406 ' C ' ' H ' ' A' ' 45' ' ' LEU . 52.9 p -82.15 -16.07 51.12 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 118.767 -1.173 . . . . 73.23 111.74 -166.055 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 65.34 -13.41 0.13 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 127.742 2.417 . . . . 71.34 114.108 -172.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.406 ' H ' ' C ' ' A' ' 43' ' ' THR . 31.5 mt -65.39 -179.08 0.57 Allowed 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 127.722 2.409 . . . . 75.42 110.482 172.317 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -69.87 166.71 18.88 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 124.703 1.201 . . . . 73.32 109.906 168.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -73.78 -14.24 61.08 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 118.276 -0.868 . . . . 73.51 113.205 165.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.7 -15.47 62.98 Favored Glycine 0 CA--C 1.528 0.889 0 CA-C-N 119.943 1.247 . . . . 20.35 113.071 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -123.43 160.08 27.62 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 126.823 2.049 . . . . 71.13 107.493 167.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -145.93 175.39 10.47 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 123.929 0.892 . . . . 52.22 109.419 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -132.29 154.7 49.42 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.154 1.382 . . . . 74.33 108.656 -172.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.422 HD11 HD11 ' A' ' 8' ' ' LEU . 66.3 mt -127.14 140.44 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 128.233 2.613 . . . . 60.33 107.57 170.234 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -127.57 90.26 3.09 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 127.603 2.361 . . . . 75.13 107.792 179.456 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.6 mt -93.77 -173.95 3.31 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 126.141 1.776 . . . . 71.24 110.622 -174.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.5 t -70.02 154.32 42.09 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 107.13 -1.434 . . . . 73.31 107.13 156.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.1 m -59.84 -46.29 89.74 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.898 0.879 . . . . 75.02 111.323 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.1 mt -64.21 -46.51 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 O-C-N 121.295 -0.878 . . . . 53.33 109.581 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -63.28 -44.77 94.14 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.099 0.56 . . . . 64.3 110.351 -176.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.12 -43.77 74.41 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.577 1.151 . . . . 63.42 110.519 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.12 -62.39 1.58 Allowed 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 122.558 0.343 . . . . 43.34 110.735 173.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -53.21 -52.98 57.13 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 124.319 1.048 . . . . 73.1 111.423 -171.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.24 -44.08 92.36 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.588 1.155 . . . . 72.42 109.859 -177.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 tp -58.98 -39.77 82.77 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 110.026 -0.361 . . . . 75.04 110.026 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -63.4 -40.61 97.66 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.368 0.531 . . . . 74.03 110.735 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 62.5 mt -59.44 -50.05 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 N-CA-C 107.864 -1.162 . . . . 74.41 107.864 174.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.9 mt -60.23 -14.67 19.0 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 114.214 1.19 . . . . 71.2 114.214 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -107.94 31.86 5.19 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.029 1.732 . . . . 71.32 111.037 175.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.57 -30.19 0.13 Allowed 'General case' 0 C--O 1.236 0.386 0 C-N-CA 124.903 1.281 . . . . 72.01 113.885 169.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -172.09 1.25 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.283 1.833 . . . . 73.3 114.672 -169.168 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -66.08 144.87 98.94 Favored Pre-proline 0 CA--C 1.535 0.373 0 C-N-CA 123.87 0.868 . . . . 63.1 111.074 172.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -65.53 161.78 36.87 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 122.817 2.344 . . . . 73.32 112.204 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -73.79 140.37 29.0 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 122.605 2.203 . . . . 65.2 113.26 -171.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 tt -61.32 114.18 3.04 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 127.986 2.514 . . . . 73.54 107.983 172.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.86 145.47 32.71 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.301 -0.875 . . . . 64.3 108.675 174.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.0 16.38 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 124.108 0.963 . . . . 63.13 111.071 -171.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -170.63 24.32 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 126.491 1.917 . . . . 73.44 109.702 176.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.45 19.89 79.73 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 120.558 -1.339 . . . . 45.04 114.317 -175.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.509 ' CE ' HD11 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -119.54 95.68 4.89 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 127.921 2.488 . . . . 70.31 110.622 -179.411 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.7 m -63.49 116.16 5.33 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.239 -1.022 . . . . 72.44 108.239 172.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.509 HD11 ' CE ' ' A' ' 78' ' ' LYS . 48.8 mm -61.92 163.85 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 124.268 1.027 . . . . 72.2 110.161 177.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.8 161.57 22.46 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 125.938 1.695 . . . . 70.53 109.227 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 t -121.77 142.46 37.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 125.844 1.658 . . . . 65.31 106.848 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -148.19 165.01 32.21 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 126.117 1.767 . . . . 44.22 107.728 174.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -129.66 128.82 43.37 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 106.975 -1.491 . . . . 61.1 106.975 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.47 64.79 1.54 Allowed 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 107.526 -1.287 . . . . 73.23 107.526 174.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.536 0.425 0 C-N-CA 125.728 1.611 . . . . 64.01 109.012 -178.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.443 ' HB3' ' CB ' ' A' ' 59' ' ' ALA . 19.6 m-20 . . . . . 0 N--CA 1.441 -0.921 0 CA-C-O 122.951 1.358 . . . . 73.4 109.782 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.9 m -119.72 108.32 14.29 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 112.631 -2.077 . . . . 61.32 105.515 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.9 mt -81.56 144.0 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 104.495 -2.409 . . . . 53.33 104.495 160.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.1 mt -126.07 137.87 56.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 105.587 -2.005 . . . . 72.41 105.587 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.7 mt -102.42 157.25 17.05 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 107.965 -1.124 . . . . 64.31 107.965 170.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -134.27 176.3 8.72 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 126.474 1.91 . . . . 75.3 108.626 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.6 t30 48.52 52.67 13.34 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 125.432 1.493 . . . . 62.21 110.939 173.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.4 mt -95.54 131.34 41.83 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 106.381 -1.711 . . . . 55.03 106.381 172.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -73.4 159.41 84.86 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 108.944 -0.762 . . . . 64.4 108.944 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -68.51 -17.88 43.45 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 124.035 3.156 . . . . 74.51 114.158 -177.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.26 -25.6 42.51 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.094 0.958 . . . . 73.03 111.957 172.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.6 p -71.7 170.33 13.75 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 119.7 -0.8 . . . . 75.22 112.095 -160.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 t -146.73 165.31 30.03 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 106.15 -1.796 . . . . 55.24 106.15 164.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.6 ptt? -52.76 -36.7 58.36 Favored 'General case' 0 C--O 1.211 -0.968 0 C-N-CA 124.789 1.236 . . . . 44.32 109.804 160.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.84 -29.43 69.5 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 120.178 1.353 . . . . 75.2 112.563 -174.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -77.41 -63.44 1.37 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.565 1.546 . . . . 60.1 107.42 175.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.474 HD11 ' HZ1' ' A' ' 78' ' ' LYS . 68.7 mt -63.28 -25.98 39.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 127.01 2.124 . . . . 61.42 111.687 -169.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.3 mt -68.14 -19.41 64.81 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 120.481 -1.387 . . . . 75.12 113.209 175.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.11 -33.21 5.28 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.17 -0.772 . . . . 74.1 111.17 172.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.08 -36.59 16.85 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 122.039 -0.683 . . . . 61.5 111.565 -170.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.5 tp -102.56 42.48 1.14 Allowed 'General case' 0 C--O 1.233 0.216 0 N-CA-C 107.678 -1.23 . . . . 72.34 107.678 -178.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.68 54.14 2.78 Favored Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 123.834 0.854 . . . . 60.11 111.188 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.48 ' HG2' ' CD1' ' A' ' 27' ' ' TYR . 60.9 Cg_endo -71.26 -24.7 22.84 Favored 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 122.527 2.151 . . . . 61.12 113.996 -175.124 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.48 ' CD1' ' HG2' ' A' ' 26' ' ' PRO . 7.8 m-85 -135.46 -59.36 0.77 Allowed 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 107.629 -1.249 . . . . 75.5 107.629 -169.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.42 164.13 12.1 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 124.386 1.075 . . . . 75.54 109.358 176.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.9 t -139.46 112.01 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 N-CA-C 107.331 -1.359 . . . . 72.13 107.331 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.3 mt -79.73 -171.77 3.0 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.341 1.856 . . . . 63.34 110.883 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 74.1 m -129.94 164.13 24.88 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.728 1.611 . . . . 40.22 110.444 165.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.8 p -66.6 -24.97 66.4 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 120.798 -1.189 . . . . 63.02 111.872 -176.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 p -54.69 -24.9 23.96 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 125.03 1.332 . . . . 71.14 112.467 168.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -111.05 14.27 21.93 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 126.037 1.735 . . . . 42.3 109.676 -171.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.5 t -135.74 92.99 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 107.199 -1.408 . . . . 72.13 107.199 174.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.56 98.0 2.73 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 107.047 -1.464 . . . . 75.2 107.047 169.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.7 t -98.38 106.01 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 104.71 -2.329 . . . . 61.32 104.71 164.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.3 mt -70.25 138.3 22.27 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 106.518 -1.66 . . . . 73.23 106.518 165.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.47 157.88 41.44 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 123.431 0.692 . . . . 71.44 109.61 175.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -69.81 163.58 25.51 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.658 1.183 . . . . 73.13 110.405 -178.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -103.84 -20.3 13.97 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.235 1.414 . . . . 55.23 112.754 -178.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -112.16 -46.25 3.22 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 125.601 1.561 . . . . 74.31 108.728 -174.06 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.3 p -89.93 -16.3 30.23 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 118.097 0.408 . . . . 74.41 111.742 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 53.76 46.33 26.06 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.122 1.369 . . . . 72.31 110.952 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.2 mt -124.64 156.15 38.0 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.789 1.636 . . . . 75.31 109.625 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -66.95 164.26 17.99 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 122.742 1.258 . . . . 60.24 112.467 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.48 -13.69 60.39 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.37 -0.831 . . . . 72.21 111.288 167.428 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.51 -14.79 64.48 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-N 119.985 1.266 . . . . 60.23 114.457 171.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -120.57 160.16 23.78 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 106.891 -1.522 . . . . 72.31 106.891 162.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -143.7 157.08 44.65 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 124.532 1.133 . . . . 74.24 108.933 -177.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -106.97 153.76 22.09 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 125.104 1.361 . . . . 60.12 107.708 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.5 mt -133.03 128.53 56.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 C-N-CA 127.03 2.132 . . . . 74.54 107.157 176.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -105.4 126.53 52.22 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 106.135 -1.802 . . . . 73.2 106.135 171.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.2 mt -136.57 169.97 16.82 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 125.821 1.648 . . . . 64.54 107.328 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.5 t -65.69 162.37 18.67 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 108.929 -0.767 . . . . 73.1 108.929 169.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.9 m -45.47 -51.83 11.06 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 127.606 2.362 . . . . 73.4 110.612 173.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.1 mt -68.23 -52.55 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 109.031 -0.729 . . . . 54.4 109.031 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.41 -47.31 86.65 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.431 0.692 . . . . 75.3 110.874 -168.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 4' ' ' ASP . . . -57.96 -56.69 18.75 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.234 1.014 . . . . 34.15 109.173 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.49 -61.28 2.41 Favored 'General case' 0 N--CA 1.446 -0.661 0 O-C-N 124.146 0.903 . . . . 75.14 109.636 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -57.18 -47.76 80.44 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 118.42 -0.8 . . . . 60.31 111.194 -174.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.72 -48.03 78.64 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 119.368 0.985 . . . . 74.2 110.408 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 tp -62.66 -35.36 79.39 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 119.18 -0.438 . . . . 73.11 110.375 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -62.24 -54.49 40.11 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-N 118.959 0.8 . . . . 44.34 109.467 175.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 58.7 mt -44.61 -58.69 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.24 0 C-N-CA 124.708 1.203 . . . . 72.4 109.876 175.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.5 mt -67.78 -14.3 62.83 Favored 'General case' 0 C--N 1.34 0.181 0 N-CA-C 115.87 1.804 . . . . 41.3 115.87 -171.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -99.83 12.89 35.55 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 120.013 1.278 . . . . 73.1 111.904 176.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -123.16 14.07 9.73 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.869 0.868 . . . . 71.43 112.067 -175.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 pp -148.97 -174.15 4.56 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.585 0.754 . . . . 43.14 111.942 -167.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -53.02 156.85 3.23 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 126.242 1.817 . . . . 73.22 112.514 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -67.92 163.24 36.4 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 121.875 1.717 . . . . 73.22 112.306 -176.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -64.02 142.69 82.36 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 123.118 2.545 . . . . 71.3 111.669 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.46 124.8 27.25 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.829 2.052 . . . . 74.14 107.398 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.9 t -89.18 151.25 22.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.059 -0.719 . . . . 75.33 109.059 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.7 mp -129.57 14.08 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 123.898 0.879 . . . . 73.13 110.84 -167.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 174.67 30.25 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 127.008 2.123 . . . . 53.24 108.186 -177.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.39 24.82 66.12 Favored Glycine 0 CA--C 1.534 1.24 0 O-C-N 119.304 -2.122 . . . . 54.13 112.617 -175.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.562 ' HE2' HD11 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -112.63 91.95 3.84 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 126.881 2.072 . . . . 73.3 109.378 171.641 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.27 121.11 13.5 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.122 -1.066 . . . . 75.44 108.122 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.562 HD11 ' HE2' ' A' ' 78' ' ' LYS . 35.3 mm -62.66 163.48 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 N-CA-C 108.057 -1.09 . . . . 75.54 108.057 -178.351 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.12 160.38 37.97 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 107.519 -1.289 . . . . 75.42 107.519 166.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.8 t -121.3 143.78 32.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 108.003 -1.11 . . . . 71.44 108.003 -174.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -125.06 159.13 32.1 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 122.34 1.067 . . . . 75.4 108.977 153.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -114.94 93.74 4.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.008 -1.906 . . . . 74.51 105.948 168.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.83 70.38 10.35 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 106.596 -1.631 . . . . 75.21 106.596 170.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.9 tptp . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 107.61 -1.255 . . . . 64.41 107.61 176.154 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 N--CA 1.442 -0.868 0 CA-C-O 121.805 0.812 . . . . 62.35 111.987 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.8 m -132.95 107.78 8.5 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 106.084 -1.821 . . . . 64.22 106.084 172.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.6 mt -82.01 124.48 39.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 104.572 -2.381 . . . . 73.51 104.572 173.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 mp -99.35 136.63 29.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 124.229 1.011 . . . . 54.13 109.918 176.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mp -93.89 149.0 21.61 Favored 'General case' 0 N--CA 1.461 0.102 0 C-N-CA 126.565 1.946 . . . . 72.14 106.968 167.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.56 176.8 8.6 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 126.153 1.781 . . . . 70.52 107.704 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 56.9 t30 52.03 48.63 22.36 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 125.46 1.504 . . . . 75.41 110.51 -177.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.468 HD23 HD12 ' A' ' 80' ' ' ILE . 93.8 mt -94.02 128.13 40.21 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 107.589 -1.263 . . . . 73.12 107.589 176.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.428 ' HB2' ' HE2' ' A' ' 78' ' ' LYS . 2.7 m-20 -67.68 144.69 97.73 Favored Pre-proline 0 C--O 1.239 0.51 0 CA-C-O 117.492 -1.242 . . . . 74.51 107.805 173.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.92 -32.67 35.16 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 123.962 3.108 . . . . 74.15 112.446 -174.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -57.28 -32.03 66.21 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.236 0.615 . . . . 74.34 112.438 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.97 172.88 12.82 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 122.404 1.097 . . . . 73.13 111.763 -170.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.0 p -122.66 -86.98 0.64 Allowed 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.083 1.753 . . . . 74.31 107.214 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.7 tpt -163.62 -37.3 0.03 OUTLIER 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 126.756 2.022 . . . . 73.51 109.357 171.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -56.81 -48.43 77.98 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.33 1.052 . . . . 64.43 111.398 -172.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.57 24.51 0.58 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.757 1.623 . . . . 70.44 112.061 177.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.8 mt -123.48 -41.96 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 126.186 1.794 . . . . 54.43 108.511 166.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.4 mt -64.69 -14.71 59.56 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 120.043 1.292 . . . . 71.21 114.062 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -86.97 -14.7 64.2 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 119.653 1.115 . . . . 63.13 112.96 173.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -141.44 12.68 2.15 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 119.001 1.401 . . . . 41.05 114.604 -172.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.9 tp -127.48 19.31 6.82 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.699 1.199 . . . . 71.53 108.911 170.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -122.58 54.25 5.7 Favored Pre-proline 0 N--CA 1.449 -0.523 0 O-C-N 120.819 -1.175 . . . . 75.21 112.442 -174.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -74.38 -16.95 21.64 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 121.878 1.719 . . . . 74.41 113.375 170.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -137.37 -66.86 0.5 Allowed 'General case' 0 C--N 1.343 0.324 0 CA-C-N 119.597 1.089 . . . . 72.41 110.735 -177.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.51 127.12 31.74 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 107.243 -1.392 . . . . 74.55 107.243 171.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.7 t -134.02 82.5 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 106.934 -1.506 . . . . 73.53 106.934 -172.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -75.48 154.53 36.92 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.981 0.419 . . . . 74.15 111.633 -169.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.9 m -86.36 58.17 4.9 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.891 1.276 . . . . 72.32 110.372 174.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.5 t 58.21 -81.2 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 126.269 1.828 . . . . 53.22 113.16 171.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 t -62.96 -23.2 67.3 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 119.958 1.254 . . . . 71.23 113.231 -174.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -45.52 -35.6 3.99 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 120.475 1.488 . . . . 73.55 110.938 167.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.0 t -89.31 102.74 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 CA-C-O 121.688 0.756 . . . . 72.54 109.454 172.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.62 118.48 12.54 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.282 1.433 . . . . 74.32 108.905 165.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 23.6 t -122.29 115.48 46.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 126.41 1.884 . . . . 61.32 108.523 174.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.4 mt -87.54 150.33 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 125.097 1.359 . . . . 61.11 108.364 172.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.87 157.64 39.94 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 124.434 1.094 . . . . 73.14 109.108 167.164 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -73.61 168.32 19.56 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.939 0.876 . . . . 61.53 111.94 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -83.04 -51.46 7.53 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.235 1.414 . . . . 71.11 109.448 175.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -68.22 -60.66 2.3 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 119.224 0.92 . . . . 70.32 110.166 176.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 45.5 p -82.65 -19.92 37.29 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.986 -0.285 . . . . 63.22 110.771 -161.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 60.97 15.65 6.29 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.016 1.727 . . . . 72.23 112.307 -176.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.0 mt -108.43 157.68 18.2 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 125.538 1.535 . . . . 70.25 109.018 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -63.59 167.44 5.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 122.697 1.237 . . . . 54.01 113.873 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -84.02 -12.97 54.38 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.382 1.873 . . . . 72.15 112.322 -176.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.79 13.24 54.02 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 126.397 1.951 . . . . 52.05 113.409 -176.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -154.7 165.52 36.29 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 125.372 1.469 . . . . 74.35 109.355 176.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -152.6 168.06 26.83 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.236 1.414 . . . . 41.42 109.857 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -130.23 105.8 8.16 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 124.427 1.091 . . . . 72.31 110.261 -164.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.0 mt -75.19 143.33 13.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 124.891 1.276 . . . . 73.51 109.366 169.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -122.74 124.49 43.49 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 126.611 1.964 . . . . 65.43 107.175 170.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.9 mt -135.68 178.02 7.37 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.864 2.066 . . . . 72.51 108.533 178.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.5 m -60.92 159.15 11.82 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 123.591 0.756 . . . . 65.33 110.466 168.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.1 p -61.95 -30.83 71.18 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.811 0.844 . . . . 70.13 112.323 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.1 mm -87.73 -49.21 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 123.964 0.906 . . . . 71.22 109.637 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.19 -46.8 87.32 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 118.878 -0.582 . . . . 73.11 110.505 -172.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.1 -55.71 19.1 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.471 -0.566 . . . . 61.22 109.471 178.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.5 -57.75 10.63 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.058 0.943 . . . . 64.34 111.244 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -55.04 -53.42 56.01 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 123.407 0.683 . . . . 72.43 111.412 -173.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.18 -39.83 86.48 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.54 1.136 . . . . 34.24 109.562 -173.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.3 -42.09 85.88 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 118.067 -0.968 . . . . 52.22 110.455 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -59.24 -34.45 72.23 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.627 0.649 . . . . 74.45 111.167 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 29.1 mt -61.62 -55.61 23.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 N-CA-C 107.682 -1.229 . . . . 73.11 107.682 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.406 ' HA ' HD11 ' A' ' 69' ' ' LEU . 2.4 mm? -57.76 -14.44 5.81 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.659 1.584 . . . . 63.32 114.76 174.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -97.72 14.73 25.83 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 119.72 1.145 . . . . 62.35 112.041 177.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -144.16 13.9 1.64 Allowed 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 114.708 1.373 . . . . 42.31 114.708 -173.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.428 ' H ' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -135.18 -163.5 1.39 Allowed 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.755 1.222 . . . . 75.31 112.758 -168.126 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -70.92 146.44 93.05 Favored Pre-proline 0 CA--C 1.548 0.878 0 O-C-N 122.086 -0.384 . . . . 75.44 110.364 175.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -66.93 169.49 14.75 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 124.283 3.322 . . . . 44.43 113.162 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -71.5 155.49 59.53 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.475 2.117 . . . . 73.15 113.744 -174.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.6 tt -75.33 119.75 19.86 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 128.201 2.601 . . . . 74.43 107.484 173.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.82 135.17 34.21 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.216 -0.927 . . . . 75.32 108.932 176.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.82 13.48 6.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 122.969 0.508 . . . . 75.15 110.938 -171.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -168.67 32.94 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.593 1.557 . . . . 74.12 109.653 177.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.11 21.48 66.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 120.827 -1.171 . . . . 72.55 114.142 -178.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.428 ' HE2' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -119.93 111.6 18.13 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 127.63 2.372 . . . . 74.43 108.134 174.143 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 50.3 m -84.13 125.49 32.21 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.809 -0.812 . . . . 75.22 108.809 177.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.468 HD12 HD23 ' A' ' 11' ' ' LEU . 19.8 mm -71.18 165.81 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 124.315 1.046 . . . . 74.14 109.77 -174.077 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.9 162.73 21.68 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 126.839 2.056 . . . . 73.21 109.422 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.4 t -103.52 143.09 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 125.498 1.519 . . . . 74.32 109.191 166.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -139.35 161.49 37.33 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.983 0.913 . . . . 72.53 109.468 155.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -135.06 95.58 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 125.195 1.398 . . . . 53.22 108.856 -173.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.08 85.09 6.91 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 107.543 -1.281 . . . . 41.23 107.543 169.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.9 tptt . . . . . 0 C--N 1.329 -0.284 0 C-N-CA 128.256 2.622 . . . . 74.33 107.762 172.786 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 N--CA 1.437 -1.124 0 CA-C-O 122.608 1.194 . . . . 74.14 110.942 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -135.84 107.93 7.2 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.845 -1.169 . . . . 73.34 107.845 170.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.8 mt -85.93 143.77 10.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 104.519 -2.4 . . . . 61.13 104.519 157.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.458 HD11 ' HB3' ' A' ' 85' ' ' ALA . 4.5 mp -121.96 153.21 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 125.629 1.572 . . . . 74.21 107.124 175.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.7 mt -118.77 154.19 33.22 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.385 -0.968 . . . . 71.43 108.385 172.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.616 ' HB2' ' HB2' ' A' ' 81' ' ' ASN . 5.9 mtp-105 -135.32 165.6 25.08 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.063 0.945 . . . . 73.32 109.43 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 63.4 t30 64.46 41.4 5.67 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.113 1.365 . . . . 72.32 111.431 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.29 123.57 28.62 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 104.902 -2.259 . . . . 64.11 104.902 174.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -64.88 157.07 77.34 Favored Pre-proline 0 C--O 1.238 0.472 0 N-CA-C 108.302 -0.999 . . . . 64.24 108.302 171.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -70.42 -32.92 14.99 Favored 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 121.621 1.547 . . . . 75.51 110.382 -173.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -70.84 -16.86 62.74 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 125.412 1.485 . . . . 64.54 113.918 176.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.0 m -65.75 158.36 27.79 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.158 -0.682 . . . . 71.4 109.158 -177.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 p -135.32 158.74 43.6 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 104.628 -2.36 . . . . 71.44 104.628 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.9 ttp -57.18 -50.93 71.3 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 106.502 -1.666 . . . . 72.23 106.502 175.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -69.29 -37.6 77.91 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.795 0.838 . . . . 74.32 112.559 -172.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.82 -53.84 53.3 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 123.322 0.649 . . . . 74.34 110.083 171.009 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.1 mt -69.87 -34.49 60.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 108.294 -1.002 . . . . 70.43 108.294 -177.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.5 mt -62.09 -34.52 76.45 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 117.87 -1.062 . . . . 72.44 111.668 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.07 -25.62 40.0 Favored Glycine 0 CA--C 1.523 0.582 0 CA-C-O 118.974 -0.903 . . . . 71.14 113.437 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -110.58 -16.77 13.57 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 118.479 1.139 . . . . 74.45 113.839 -167.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.4 tp -110.75 40.17 2.07 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.932 1.293 . . . . 74.31 108.41 173.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.81 53.59 7.47 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 113.382 0.882 . . . . 71.24 113.382 -174.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.407 ' HG2' ' CD2' ' A' ' 27' ' ' TYR . 63.9 Cg_endo -71.96 -33.2 10.13 Favored 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 121.264 1.309 . . . . 63.12 111.699 166.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.407 ' CD2' ' HG2' ' A' ' 26' ' ' PRO . 22.8 m-85 -122.73 -23.94 4.98 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.062 0.945 . . . . 65.23 112.477 -166.398 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -135.67 117.79 15.44 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 119.121 0.873 . . . . 63.04 109.392 168.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.2 t -98.64 89.02 1.76 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 N-CA-C 105.841 -1.911 . . . . 64.02 105.841 172.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.0 mt -68.95 169.86 10.85 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 108.76 -0.829 . . . . 73.35 108.76 -177.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.7 m -98.0 158.39 15.57 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 120.879 -1.138 . . . . 61.04 109.511 165.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.7 m -60.22 -29.71 68.91 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.303 -0.873 . . . . 70.22 112.675 174.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.4 m -62.92 -26.78 68.96 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 119.3 0.955 . . . . 71.14 112.635 174.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -75.5 -26.82 58.46 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 119.273 0.942 . . . . 54.13 111.185 177.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.3 t -109.59 108.11 24.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 118.957 0.799 . . . . 73.22 110.675 -158.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.94 113.85 26.23 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 124.434 1.093 . . . . 74.43 108.846 178.402 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.0 t -117.43 110.7 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 106.487 -1.671 . . . . 63.31 106.487 174.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.1 mt -75.32 129.02 37.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 N-CA-C 107.631 -1.248 . . . . 62.5 107.631 175.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -111.23 146.51 36.82 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 126.417 1.887 . . . . 54.23 109.159 173.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -74.87 -178.51 3.76 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.175 0.59 . . . . 54.2 111.13 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -123.69 -25.92 4.24 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.858 1.263 . . . . 74.53 112.082 173.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.83 -56.54 3.43 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 107.06 -1.459 . . . . 74.34 107.06 173.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.6 p -78.52 -22.39 47.4 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 117.946 0.339 . . . . 74.13 110.816 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 57.38 13.45 1.78 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 128.89 2.876 . . . . 75.24 114.778 -169.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.9 mt -107.01 167.17 10.08 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 120.43 1.468 . . . . 52.13 110.213 -173.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.64 155.46 33.27 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.186 -0.946 . . . . 63.2 110.554 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -68.61 -13.2 62.19 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.852 1.056 . . . . 75.21 113.852 171.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.1 13.3 31.71 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 124.165 0.888 . . . . 61.42 114.274 170.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -142.4 173.28 11.67 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 127.501 2.32 . . . . 73.33 107.336 171.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -149.82 164.62 34.85 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 107.954 -1.128 . . . . 62.02 107.954 173.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -123.26 152.23 41.56 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.283 1.433 . . . . 75.15 107.206 176.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 51.5 mt -133.41 114.22 20.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 128.084 2.554 . . . . 63.23 104.762 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.36 107.04 17.82 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 104.365 -2.458 . . . . 74.43 104.365 -177.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 mt -109.9 -170.71 1.7 Allowed 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.334 1.054 . . . . 61.35 109.179 -175.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.82 160.18 32.25 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.481 -0.762 . . . . 62.22 110.046 158.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.8 p -54.65 -60.51 3.26 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 124.406 1.083 . . . . 53.42 110.261 176.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.9 mt -60.33 -47.78 90.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 124.921 1.289 . . . . 63.41 109.224 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -62.41 -44.96 95.19 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 118.706 0.685 . . . . 65.11 111.74 -172.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.87 -50.98 70.84 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.873 0.869 . . . . 72.42 109.029 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.42 -58.4 8.19 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 118.758 -0.639 . . . . 55.53 110.566 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -51.57 -60.22 3.39 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 125.777 1.631 . . . . 75.23 111.356 -174.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -55.7 -44.85 77.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.418 0.687 . . . . 71.24 109.622 -177.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.96 -36.27 83.41 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 118.996 -0.526 . . . . 64.12 111.511 -177.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -57.53 -45.27 85.24 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 108.826 -0.805 . . . . 73.05 108.826 177.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.5 mt -62.44 -48.81 86.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 N-CA-C 107.873 -1.158 . . . . 70.15 107.873 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.1 mt -58.23 -14.39 7.04 Favored 'General case' 0 C--N 1.342 0.241 0 N-CA-C 114.653 1.353 . . . . 63.22 114.653 177.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -110.5 14.48 22.5 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.243 0.929 . . . . 54.51 112.406 173.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -123.69 -14.85 7.17 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 126.56 1.944 . . . . 71.34 113.356 177.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.407 HD12 ' H ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -112.95 -170.22 1.63 Allowed 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 114.825 1.417 . . . . 74.31 114.825 -155.868 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.3 144.22 88.09 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 125.683 1.593 . . . . 52.32 111.784 171.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -71.41 154.7 60.74 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.635 2.223 . . . . 63.35 111.977 -168.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -66.55 134.89 37.1 Favored 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 122.595 2.196 . . . . 71.13 112.762 -167.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -68.62 119.34 12.9 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 127.458 2.303 . . . . 72.35 109.121 -175.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 t -82.48 145.9 29.55 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 109.054 -0.721 . . . . 72.44 109.054 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -130.27 14.16 2.23 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 122.843 0.457 . . . . 62.12 110.833 -174.399 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -168.54 37.07 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.921 1.288 . . . . 74.3 109.156 171.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.05 13.94 54.55 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 125.017 1.294 . . . . 62.32 114.768 -175.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.53 111.21 22.94 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 126.769 2.028 . . . . 71.43 108.647 175.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.43 110.05 6.56 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.206 -1.035 . . . . 72.03 108.206 174.139 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.9 mm -61.5 138.47 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 126.121 1.768 . . . . 64.15 108.192 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.616 ' HB2' ' HB2' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -93.36 164.12 13.34 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.285 1.834 . . . . 54.41 108.736 170.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.6 t -124.38 143.95 35.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 125.278 1.431 . . . . 74.14 107.216 170.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -130.78 165.04 23.83 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 126.167 1.787 . . . . 75.02 108.657 166.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -137.13 84.04 2.04 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 124.664 1.185 . . . . 73.41 110.468 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.458 ' HB3' HD11 ' A' ' 7' ' ' ILE . . . -89.99 61.39 5.24 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 108.983 -0.747 . . . . 75.41 108.983 176.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.541 0.625 0 C-N-CA 124.433 1.093 . . . . 60.02 108.27 175.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 CA--C 1.533 0.293 0 CA-C-O 123.268 1.509 . . . . 74.4 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 m -121.56 106.51 11.44 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.353 1.461 . . . . 71.0 107.223 -169.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.6 mt -78.74 129.49 37.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 105.537 -2.023 . . . . 73.02 105.537 174.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.4 mt -107.2 140.89 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 106.672 -1.603 . . . . 73.34 106.672 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.0 mt -107.73 155.1 20.56 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 108.882 -0.785 . . . . 70.12 108.882 165.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.441 ' HB2' ' HB2' ' A' ' 81' ' ' ASN . 5.0 mtt180 -139.55 171.21 14.57 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 127.524 2.33 . . . . 73.41 109.143 -170.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 66.5 t30 53.11 34.62 17.7 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.408 1.483 . . . . 74.22 110.33 -176.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.7 mt -77.61 112.96 14.96 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 106.233 -1.766 . . . . 72.1 106.233 176.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.477 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 1.0 OUTLIER -59.91 144.85 85.53 Favored Pre-proline 0 CA--C 1.515 -0.387 0 N-CA-C 106.253 -1.758 . . . . 63.21 106.253 -179.535 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.488 ' HB2' HD13 ' A' ' 45' ' ' LEU . 35.1 Cg_endo -62.83 -30.27 77.45 Favored 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 121.609 1.54 . . . . 63.4 112.286 -175.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -74.82 -14.89 60.74 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 113.811 1.041 . . . . 73.2 113.811 175.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.0 m -76.54 160.25 29.63 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 121.377 -0.827 . . . . 73.13 109.335 172.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.13 172.87 12.39 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 127.053 2.141 . . . . 74.4 107.535 159.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -55.7 -32.72 63.55 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-O 118.371 -0.823 . . . . 75.32 109.552 170.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.82 -28.59 69.96 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 119.204 0.911 . . . . 62.54 110.625 -174.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.5 m -78.46 -58.77 3.08 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.02 0.928 . . . . 64.41 109.11 172.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.8 mt -59.01 -43.87 89.91 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.464 0 C-N-CA 123.781 0.832 . . . . 73.44 110.048 -171.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.1 mt -70.88 -14.77 62.51 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 124.154 0.982 . . . . 63.53 113.529 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.66 -17.88 50.39 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 118.93 -0.928 . . . . 32.55 112.815 176.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.72 -14.19 4.11 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.751 1.221 . . . . 41.22 113.339 -168.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.18 30.69 4.98 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 126.103 1.761 . . . . 71.51 109.503 -178.246 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -122.24 55.05 6.03 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 124.141 0.976 . . . . 53.31 112.777 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.504 ' HG2' ' CD1' ' A' ' 27' ' ' TYR . 84.3 Cg_endo -79.29 -24.64 6.42 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 122.222 1.948 . . . . 71.41 112.172 165.011 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.504 ' CD1' ' HG2' ' A' ' 26' ' ' PRO . 62.4 m-85 -122.09 -51.99 1.98 Allowed 'General case' 0 C--N 1.344 0.363 0 C-N-CA 124.529 1.132 . . . . 74.42 111.496 -169.265 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.86 117.81 35.08 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 107.648 -1.242 . . . . 44.23 107.648 175.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.8 t -130.85 77.04 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 107.307 -1.368 . . . . 75.21 107.307 -161.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -77.52 160.82 28.37 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.652 -0.704 . . . . 64.24 111.735 -168.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.98 24.46 1.29 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.599 1.96 . . . . 73.41 111.069 178.086 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.3 m 61.65 -49.43 0.14 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.589 2.356 . . . . 75.34 115.782 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 p -58.6 -26.45 63.68 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 121.468 1.94 . . . . 73.11 111.972 175.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -60.69 -24.68 65.82 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-O 118.249 -0.881 . . . . 73.43 111.514 174.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.6 t -104.97 94.55 3.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 C-N-CA 124.922 1.289 . . . . 64.4 108.89 -166.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.46 86.58 0.11 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.307 1.443 . . . . 73.3 110.174 174.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.9 t -92.63 89.57 2.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 126.123 1.769 . . . . 64.34 107.07 169.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.505 HD12 ' H ' ' A' ' 38' ' ' ILE . 0.6 OUTLIER -72.08 121.78 23.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 N-CA-C 107.61 -1.255 . . . . 72.14 107.61 175.658 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.28 155.26 36.86 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 120.707 -0.397 . . . . 73.2 110.816 170.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -70.58 165.78 22.03 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.774 1.229 . . . . 71.12 110.123 165.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -113.87 14.25 18.54 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 114.049 1.129 . . . . 74.21 114.049 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -127.75 -51.43 1.35 Allowed 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 119.138 0.881 . . . . 71.31 108.74 170.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.593 ' HB ' HD12 ' A' ' 45' ' ' LEU . 82.1 p -77.04 -19.66 56.9 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.855 0.317 . . . . 62.15 111.855 -176.518 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 62.47 15.72 8.05 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.755 2.022 . . . . 74.21 113.107 -171.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.593 HD12 ' HB ' ' A' ' 43' ' ' THR . 12.5 mt -94.54 -169.16 1.98 Allowed 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 125.641 1.576 . . . . 62.54 109.292 178.03 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -96.65 164.57 12.53 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.114 0.87 . . . . 74.42 110.146 175.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -83.3 13.5 4.25 Favored 'General case' 0 CA--C 1.555 1.172 0 N-CA-C 114.068 1.136 . . . . 74.2 114.068 -170.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.84 13.16 65.89 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 128.072 2.749 . . . . 71.43 116.294 -176.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -150.94 167.48 27.45 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 120.819 -1.4 . . . . 71.13 108.638 167.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.25 155.66 35.61 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 123.943 0.897 . . . . 63.41 109.436 173.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -116.94 120.43 38.4 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 125.679 1.592 . . . . 74.12 108.013 -169.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.1 mt -82.18 141.42 15.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 C-N-CA 125.222 1.409 . . . . 24.02 107.717 167.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -129.59 79.39 1.91 Allowed 'General case' 0 C--O 1.239 0.551 0 C-N-CA 125.545 1.538 . . . . 74.03 107.24 170.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.0 mt -71.47 177.2 4.13 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.894 1.278 . . . . 75.21 109.768 165.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.12 155.25 3.71 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 108.608 -0.886 . . . . 73.31 108.608 159.014 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.8 p -58.02 -52.83 63.89 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.529 0.68 . . . . 74.31 111.429 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.6 mm -69.99 -40.58 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 122.926 0.491 . . . . 70.4 109.728 -176.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.96 -52.87 63.71 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.827 -0.805 . . . . 74.03 108.827 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.13 -53.28 28.63 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.591 1.156 . . . . 50.14 110.598 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.79 -39.96 95.5 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 112.703 0.631 . . . . 51.53 112.703 -175.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -66.09 -58.97 4.27 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.336 1.055 . . . . 74.3 109.315 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.485 HD12 ' CD2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -59.5 -41.98 91.13 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.258 1.023 . . . . 74.41 110.117 -171.186 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.3 tp -53.15 -45.91 68.62 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 121.913 -0.492 . . . . 72.13 110.722 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -69.59 -24.03 63.61 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 118.196 0.453 . . . . 64.0 111.963 -173.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.66 -60.29 2.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 106.51 -1.663 . . . . 70.1 106.51 164.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.485 ' CD2' HD12 ' A' ' 62' ' ' LEU . 2.8 mm? -60.47 -17.28 43.95 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 114.575 1.324 . . . . 64.14 114.575 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -100.68 13.34 35.13 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.397 0.999 . . . . 72.3 112.295 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -154.38 -14.43 0.13 Allowed 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 114.709 1.374 . . . . 64.01 114.709 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -162.7 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.709 2.004 . . . . 62.44 113.645 175.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -65.68 145.86 99.01 Favored Pre-proline 0 CA--C 1.54 0.573 0 N-CA-C 113.245 0.832 . . . . 63.11 113.245 169.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -66.71 160.99 43.77 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 123.266 2.644 . . . . 72.13 112.239 -170.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -67.33 158.71 55.7 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.548 2.165 . . . . 74.32 112.481 -174.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.2 tt -112.76 122.96 49.2 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 126.179 1.791 . . . . 72.51 107.896 -168.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.5 t -77.22 141.9 39.82 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.438 0.695 . . . . 42.32 110.347 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -130.14 14.47 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 124.607 1.163 . . . . 44.32 110.529 -178.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -167.7 24.65 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.6 1.16 . . . . 65.4 110.673 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.93 24.84 76.7 Favored Glycine 0 CA--C 1.532 1.109 0 O-C-N 121.297 -0.877 . . . . 73.33 114.851 -174.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.477 ' HE3' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -125.58 119.98 29.58 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 126.726 2.01 . . . . 71.43 109.741 174.264 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.7 m -78.05 116.1 18.27 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 119.58 1.082 . . . . 74.44 108.463 172.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.4 mm -58.91 160.45 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 124.025 0.93 . . . . 71.14 109.7 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.441 ' HB2' ' HB2' ' A' ' 9' ' ' ARG . 1.0 OUTLIER -126.27 155.56 41.71 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 125.298 1.439 . . . . 73.22 107.799 171.6 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.3 t -119.95 144.62 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 C-N-CA 125.496 1.518 . . . . 62.23 107.96 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -141.5 169.91 16.7 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 127.644 2.377 . . . . 73.41 107.623 176.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -126.09 158.42 35.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 106.351 -1.722 . . . . 74.41 106.351 169.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -145.92 73.56 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 105.984 -1.858 . . . . 72.24 105.984 168.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.534 0 N-CA-C 106.729 -1.582 . . . . 70.23 106.729 -176.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 125.335 2.493 . . . . 74.04 110.92 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.8 m -117.67 109.09 16.22 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 111.144 -2.753 . . . . 64.02 107.971 176.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mt -74.77 126.65 35.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 106.05 -1.833 . . . . 74.33 106.05 163.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.41 HD11 ' HB2' ' A' ' 85' ' ' ALA . 14.6 mt -98.79 135.89 31.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 N-CA-C 107.194 -1.41 . . . . 74.04 107.194 172.278 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.4 mt -87.99 160.03 18.05 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.707 0.803 . . . . 72.44 109.978 168.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -137.16 172.7 12.61 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.368 -0.832 . . . . 62.12 109.485 170.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 62.7 t30 58.39 46.01 15.94 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 125.761 1.624 . . . . 64.14 111.513 176.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 43.3 mt -85.6 119.44 25.94 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 106.859 -1.534 . . . . 73.22 106.859 171.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.485 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 5.2 m-20 -62.48 158.44 49.12 Favored Pre-proline 0 C--O 1.236 0.379 0 N-CA-C 108.817 -0.808 . . . . 74.12 108.817 163.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.477 ' HB2' HD22 ' A' ' 45' ' ' LEU . 33.3 Cg_endo -82.22 -15.64 8.87 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 124.211 3.274 . . . . 74.11 112.703 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.84 -14.21 61.46 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.364 1.866 . . . . 65.12 112.076 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.2 m -108.42 154.35 22.0 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.257 1.423 . . . . 74.13 108.007 165.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.1 t -123.56 -57.82 1.63 Allowed 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 106.497 -1.668 . . . . 70.43 106.497 173.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 27.5 ttm -157.71 -56.38 0.08 Allowed 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 123.087 0.555 . . . . 63.2 110.557 -175.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.54 -23.06 66.17 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.314 1.046 . . . . 64.11 112.824 -173.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 t -95.21 24.76 4.73 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.305 1.842 . . . . 74.4 110.216 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mt -137.38 -48.69 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 124.908 1.283 . . . . 71.3 107.827 176.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -52.75 -44.32 66.37 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-O 118.777 -0.63 . . . . 73.32 112.45 -168.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.64 24.89 27.42 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 124.967 1.27 . . . . 73.01 112.698 -174.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.95 -40.32 0.44 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.994 1.317 . . . . 70.4 109.882 178.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.6 tp -81.29 19.4 0.96 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.818 1.647 . . . . 73.33 110.994 173.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.68 61.9 1.27 Allowed Pre-proline 0 CA--C 1.541 0.603 0 C-N-CA 124.243 1.017 . . . . 54.13 112.158 175.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -85.68 -18.13 3.91 Favored 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 123.155 2.57 . . . . 73.41 113.841 163.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.454 ' CE1' HD21 ' A' ' 69' ' ' LEU . 1.1 m-85 -124.15 -65.01 1.09 Allowed 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 121.214 1.824 . . . . 73.44 110.219 -177.08 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.89 114.52 28.78 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 125.585 1.554 . . . . 70.23 108.153 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.5 t -84.86 105.44 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 N-CA-C 106.908 -1.516 . . . . 72.1 106.908 173.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.6 mt -78.6 163.75 25.24 Favored 'General case' 0 N--CA 1.464 0.246 0 O-C-N 121.325 -0.86 . . . . 64.31 111.801 -177.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.74 24.45 10.57 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.373 1.069 . . . . 54.53 112.015 -177.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.4 t 73.07 -56.4 0.66 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.587 1.555 . . . . 71.31 113.007 164.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 p -60.71 -30.68 70.1 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.529 1.531 . . . . 72.4 111.927 174.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -51.05 -31.99 20.39 Favored 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 125.318 1.447 . . . . 72.41 110.533 171.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.5 t -94.81 101.53 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 C-N-CA 124.553 1.141 . . . . 64.42 108.495 -165.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.0 111.96 19.75 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 125.872 1.669 . . . . 70.21 108.591 170.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.8 t -113.36 102.2 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 127.462 2.305 . . . . 64.41 107.693 171.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 49.4 mt -62.97 138.66 22.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 107.282 -1.377 . . . . 54.22 107.282 164.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 46' ' ' ASN . 43.7 mttt -126.81 149.27 49.78 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 107.781 -1.192 . . . . 71.4 107.781 178.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -44.39 -86.77 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.555 1.542 . . . . 71.4 113.486 -177.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.6 mttp 172.41 -55.77 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 127.828 2.451 . . . . 64.2 105.461 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.9 -38.54 8.19 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 113.888 -1.506 . . . . 54.3 109.715 -166.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.5 p -77.98 -14.06 59.66 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 120.875 0.369 . . . . 63.13 111.961 -171.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 56.3 14.52 1.6 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 127.186 2.195 . . . . 73.13 113.262 -167.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.477 HD22 ' HB2' ' A' ' 13' ' ' PRO . 27.4 mt -89.93 179.5 5.95 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.989 1.716 . . . . 73.02 111.36 174.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.456 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 8.2 p30 -114.65 165.11 13.14 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.631 1.572 . . . . 72.14 110.916 -174.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -79.29 -14.8 58.79 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.04 1.336 . . . . 53.54 112.446 -175.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.4 12.93 34.38 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 125.526 1.536 . . . . 53.42 114.73 174.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -148.96 159.33 44.31 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 125.352 1.461 . . . . 63.11 108.136 173.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -139.28 165.65 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 123.945 0.898 . . . . 43.33 108.747 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -121.34 137.94 54.48 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.408 -1.701 . . . . 74.31 106.408 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.7 mt -139.82 122.1 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 127.21 2.204 . . . . 72.41 107.852 -172.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -128.9 152.13 48.88 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 119.079 0.854 . . . . 70.33 111.222 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.2 mt -137.13 -174.49 3.75 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.513 2.325 . . . . 71.31 109.254 -168.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.74 155.74 15.33 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.38 1.072 . . . . 73.23 109.795 165.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.1 p -61.93 -49.36 76.45 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.734 0.778 . . . . 71.42 112.742 -169.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 74.2 mt -67.29 -46.65 83.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 124.128 0.971 . . . . 63.22 109.816 174.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.08 -48.33 82.18 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 124.278 1.031 . . . . 73.43 110.959 -171.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.99 -58.76 4.79 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.943 1.297 . . . . 74.2 110.071 176.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.35 -41.58 96.69 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.875 0.87 . . . . 72.24 111.492 -174.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -58.74 -57.65 12.08 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.504 -0.747 . . . . 73.02 109.842 176.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.431 HD12 ' CD2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -62.24 -42.04 98.96 Favored 'General case' 0 N--CA 1.455 -0.208 0 O-C-N 123.644 0.59 . . . . 72.02 109.593 -173.868 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.7 tp -53.2 -44.32 67.87 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 122.676 0.391 . . . . 71.02 110.849 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -65.92 -28.3 68.83 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 117.842 0.292 . . . . 73.32 111.553 -176.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 74.5 mt -60.59 -55.6 23.37 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 N-CA-C 108.102 -1.073 . . . . 65.01 108.102 170.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.431 ' CD2' HD12 ' A' ' 62' ' ' LEU . 3.6 mm? -56.11 -16.04 4.55 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.482 1.113 . . . . 63.42 113.86 176.309 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -107.8 20.71 18.43 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.409 1.483 . . . . 71.03 111.967 178.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -139.98 -30.7 0.68 Allowed 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.755 1.222 . . . . 42.1 113.868 175.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.454 HD21 ' CE1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -92.97 -162.15 0.91 Allowed 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 114.029 1.122 . . . . 74.2 114.029 -164.635 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -76.89 152.04 82.43 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 126.961 2.104 . . . . 73.1 112.985 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.16 161.04 35.82 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 123.612 2.875 . . . . 72.13 113.391 -165.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -73.66 145.12 36.56 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 122.852 2.368 . . . . 64.21 113.032 -172.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.52 118.23 5.81 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 126.676 1.99 . . . . 71.0 109.331 168.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.17 150.34 31.72 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 124.346 1.058 . . . . 73.32 108.289 170.575 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.69 14.16 4.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 124.125 0.97 . . . . 70.1 110.91 -176.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -174.53 34.52 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.901 1.28 . . . . 65.1 110.464 -177.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.2 14.84 55.27 Favored Glycine 0 CA--C 1.538 1.484 0 O-C-N 120.303 -1.498 . . . . 33.34 114.896 -174.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.485 ' HE3' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -111.28 110.95 21.68 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 126.507 1.923 . . . . 64.31 109.911 172.348 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.58 119.65 19.07 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.055 -0.72 . . . . 65.24 109.055 172.351 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 22.9 mm -69.19 150.59 10.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 123.637 0.775 . . . . 72.24 109.775 -177.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.44 172.38 6.92 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.017 0.927 . . . . 61.43 112.115 174.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.0 t -126.58 152.77 34.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 125.894 1.678 . . . . 50.51 107.807 -174.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -155.64 172.72 17.82 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 127.808 2.443 . . . . 71.42 107.339 171.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -140.86 92.8 2.53 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 123.353 0.661 . . . . 73.42 109.238 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.41 ' HB2' HD11 ' A' ' 7' ' ' ILE . . . -82.47 68.97 9.13 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 122.348 1.07 . . . . 65.2 108.294 168.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.4 tptp . . . . . 0 N--CA 1.446 -0.662 0 N-CA-C 106.544 -1.65 . . . . 72.3 106.544 167.321 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.272 0.0 OUTLIER . . . . . 0 CA--C 1.504 -0.794 0 CA-C-O 123.582 1.658 . . . . 61.04 111.884 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.5 m -138.87 123.49 18.52 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 112.456 -2.156 . . . . 63.41 107.814 -172.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.9 mt -95.79 110.49 24.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 N-CA-C 105.033 -2.21 . . . . 70.0 105.033 175.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.0 mp -85.71 156.28 3.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.55 -0.907 . . . . 75.1 108.55 173.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.8 mp -122.93 156.08 35.42 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 125.645 1.578 . . . . 64.44 107.254 174.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -140.76 171.53 13.97 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.33 0.968 . . . . 64.54 109.928 175.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.3 t30 61.41 37.39 16.83 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.49 1.516 . . . . 72.42 111.776 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.84 131.25 39.6 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 105.067 -2.197 . . . . 73.54 105.067 169.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.45 ' HB2' ' HE2' ' A' ' 78' ' ' LYS . 1.4 m-20 -70.26 146.73 94.84 Favored Pre-proline 0 N--CA 1.471 0.594 0 CA-C-O 116.901 -1.524 . . . . 70.14 107.437 172.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -62.61 -18.69 65.06 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 123.46 2.773 . . . . 65.14 113.274 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -60.66 -39.19 87.47 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.497 1.119 . . . . 73.32 112.599 173.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.1 p -70.66 158.68 35.79 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.045 0.384 . . . . 72.22 111.824 -170.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.0 p -107.23 -86.13 0.5 Allowed 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 107.603 -1.258 . . . . 65.52 107.603 166.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 37.6 ttp -161.13 -68.48 0.06 Allowed 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 106.476 -1.676 . . . . 62.32 106.476 -164.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.46 -29.58 70.27 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 118.067 0.394 . . . . 72.12 111.019 -174.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 p -64.73 -24.41 67.56 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.259 1.823 . . . . 65.53 113.457 172.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.4 mt -85.9 -47.28 16.66 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.271 0 C-N-CA 124.701 1.2 . . . . 73.53 109.119 171.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.83 -36.39 64.96 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 119.087 0.858 . . . . 70.24 110.776 -175.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.82 -14.18 64.98 Favored Glycine 0 CA--C 1.534 1.233 0 CA-C-O 117.941 -1.477 . . . . 71.5 115.088 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.59 14.95 2.54 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.868 1.834 . . . . 63.23 113.392 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 tp -131.76 21.22 4.61 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.163 0.985 . . . . 73.54 111.107 172.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.435 ' HB1' HG22 ' A' ' 29' ' ' VAL . . . -126.87 58.88 31.63 Favored Pre-proline 0 CA--C 1.541 0.603 0 O-C-N 120.598 -1.314 . . . . 71.12 112.273 -174.102 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.92 -37.78 2.64 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 122.278 1.985 . . . . 73.31 113.306 178.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -123.98 -25.26 4.25 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.906 0.776 . . . . 74.03 112.737 -171.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.67 109.03 10.97 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 108.291 -1.003 . . . . 70.41 108.291 172.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.435 HG22 ' HB1' ' A' ' 25' ' ' ALA . 44.5 t -97.21 108.69 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 107.294 -1.373 . . . . 74.24 107.294 171.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -80.87 161.46 24.4 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 122.872 0.469 . . . . 72.54 110.093 172.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 t -74.05 36.47 0.1 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.001 1.721 . . . . 74.33 112.666 176.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t 59.97 -73.72 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.471 1.908 . . . . 70.14 111.929 -172.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.7 t -55.7 -28.53 56.19 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 126.487 1.915 . . . . 73.14 113.984 -172.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -54.4 -29.41 48.86 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 124.361 1.064 . . . . 71.22 111.357 172.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.2 t -81.39 93.68 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 C-N-CA 125.413 1.485 . . . . 72.24 108.281 168.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.05 114.33 2.53 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 120.819 -1.175 . . . . 72.11 108.819 166.195 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.0 t -112.68 126.83 70.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 125.082 1.353 . . . . 75.51 107.894 164.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.9 mt -87.25 127.74 40.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 N-CA-C 106.118 -1.808 . . . . 73.12 106.118 165.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -98.81 147.24 25.12 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 106.703 -1.591 . . . . 64.43 106.703 166.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.98 -24.73 67.83 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.461 0.648 . . . . 74.53 110.583 175.383 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt 74.55 -56.99 0.62 Allowed 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 129.09 2.956 . . . . 63.54 111.42 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -61.77 -36.42 80.99 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 119.511 1.05 . . . . 74.23 111.483 -172.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.5 p -94.28 -12.84 27.29 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 126.035 1.734 . . . . 55.0 111.88 -176.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 70.92 -15.15 0.41 Allowed 'General case' 0 C--N 1.344 0.358 0 C-N-CA 128.628 2.771 . . . . 73.41 114.318 -163.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.1 mt -69.68 172.01 8.15 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 124.288 1.035 . . . . 72.12 110.835 -173.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -101.25 170.13 8.45 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.434 1.093 . . . . 63.12 112.051 170.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -90.49 -14.04 33.52 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.784 0.834 . . . . 75.43 112.612 -176.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.0 13.8 22.51 Favored Glycine 0 CA--C 1.528 0.845 0 CA-C-N 118.955 0.798 . . . . 74.21 113.886 164.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -149.71 170.13 19.42 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 126.602 1.961 . . . . 63.12 107.448 177.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.31 173.42 16.19 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.283 -0.885 . . . . 55.21 108.949 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -139.75 104.89 5.01 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 124.336 1.054 . . . . 74.23 108.303 -172.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.8 mt -70.35 141.78 16.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 120.02 1.282 . . . . 74.34 109.769 165.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -116.23 137.7 51.92 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 107.837 -1.171 . . . . 75.3 107.837 162.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.5 mt -142.17 173.51 11.45 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.44 1.896 . . . . 73.24 108.393 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.15 157.77 2.48 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.98 0.912 . . . . 63.33 110.24 167.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 m -57.42 -57.39 12.87 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.018 0.927 . . . . 63.41 110.852 -171.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.2 mt -70.28 -41.68 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-O 118.335 -0.841 . . . . 72.41 110.317 177.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -57.78 -49.8 75.39 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 119.444 1.02 . . . . 72.31 111.639 -176.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.29 -55.11 11.45 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.151 0.981 . . . . 74.02 109.952 174.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.4 -39.45 85.55 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 112.998 0.74 . . . . 65.21 112.998 -175.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -64.66 -62.25 1.7 Allowed 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 124.108 0.963 . . . . 63.21 109.166 178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -39.52 75.3 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.967 0.907 . . . . 74.03 109.704 -170.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 tp -52.19 -49.5 63.75 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 119.279 -0.391 . . . . 70.21 110.658 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -61.64 -31.4 71.49 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.367 0.667 . . . . 70.34 111.287 -176.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.6 mt -59.98 -59.01 4.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 106.92 -1.511 . . . . 73.32 106.92 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -58.0 -32.18 67.66 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.185 0.994 . . . . 71.33 111.92 176.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -81.02 13.59 2.66 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.881 0.872 . . . . 71.34 112.842 -177.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -136.06 -37.82 0.71 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.66 1.184 . . . . 71.12 112.3 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 pp -74.38 -175.03 2.19 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.562 0.619 . . . . 74.35 111.076 171.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -48.26 160.73 0.41 Allowed Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 126.241 1.816 . . . . 65.44 112.985 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -65.6 168.34 15.06 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.392 2.061 . . . . 44.21 113.312 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.51 167.78 26.12 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.406 2.737 . . . . 52.52 112.84 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.451 HD23 ' H ' ' A' ' 74' ' ' THR . 0.2 OUTLIER -84.81 -179.09 7.02 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 127.46 2.304 . . . . 72.32 111.031 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.451 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -143.18 160.7 39.94 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 128.734 2.814 . . . . 74.13 105.38 176.287 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.2 mp -134.64 12.59 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 C-N-CA 123.553 0.741 . . . . 54.32 110.163 174.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.504 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 0.6 OUTLIER -174.87 34.67 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 O-C-N 120.459 -1.401 . . . . 72.2 109.571 -165.298 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.12 14.65 47.61 Favored Glycine 0 CA--C 1.535 1.334 0 O-C-N 120.764 -1.21 . . . . 44.13 115.433 -177.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.504 ' HE3' ' HB2' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -112.27 99.81 8.32 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 126.83 2.052 . . . . 72.12 110.214 177.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 m -63.96 116.03 5.46 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.354 -0.98 . . . . 63.51 108.354 174.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.7 mm -62.37 157.51 3.69 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 N-CA-C 108.439 -0.948 . . . . 61.4 108.439 -178.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -116.51 162.89 16.9 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 123.501 0.72 . . . . 52.33 109.781 168.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 23.2 t -124.67 143.53 37.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 125.735 1.614 . . . . 71.42 106.69 -176.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -142.26 167.08 22.96 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 125.87 1.668 . . . . 73.31 108.85 177.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -146.91 99.32 3.17 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 124.153 0.981 . . . . 72.22 110.207 -174.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.34 78.73 1.77 Allowed 'General case' 0 C--O 1.237 0.417 0 N-CA-C 107.257 -1.386 . . . . 52.13 107.257 174.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 107.957 -1.127 . . . . 71.1 107.957 -176.682 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 122.749 1.261 . . . . 61.22 114.033 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -120.96 138.2 54.25 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 113.871 -1.513 . . . . 71.12 107.874 175.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.3 mt -115.52 116.8 53.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 105.001 -2.222 . . . . 64.44 105.001 170.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.1 mt -99.22 135.51 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 106.707 -1.59 . . . . 74.23 106.707 -175.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.6 mt -104.76 155.71 18.65 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 124.0 0.92 . . . . 73.43 109.403 174.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.43 HH11 ' HB3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -140.45 179.78 6.47 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.345 1.458 . . . . 74.13 107.903 170.163 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.0 t30 53.57 39.66 30.38 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 125.1 1.36 . . . . 71.4 111.701 -174.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 49' ' ' PHE . 0.8 OUTLIER -73.27 130.16 39.6 Favored 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 104.377 -2.453 . . . . 72.34 104.377 162.852 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.417 ' H ' ' HG3' ' A' ' 78' ' ' LYS . 4.1 m-20 -68.35 146.7 98.03 Favored Pre-proline 0 C--O 1.241 0.655 0 N-CA-C 106.052 -1.832 . . . . 54.0 106.052 164.435 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -73.28 -20.92 20.66 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 122.641 2.228 . . . . 74.54 112.067 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -78.79 13.56 1.65 Allowed 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.174 0.897 . . . . 62.5 112.934 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -122.46 177.9 5.2 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.293 1.837 . . . . 64.44 111.21 170.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.55 -85.87 0.57 Allowed 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.232 1.413 . . . . 73.54 108.174 -177.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.1 ptp -156.68 -50.74 0.08 Allowed 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 119.656 1.116 . . . . 74.1 109.218 174.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -56.49 -33.53 66.08 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.297 1.039 . . . . 61.54 110.201 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -30.65 68.32 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.955 2.102 . . . . 52.21 113.197 177.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.463 HG23 HD13 ' A' ' 75' ' ' ILE . 70.1 mt -100.97 -51.65 9.34 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 C-N-CA 127.706 2.403 . . . . 73.54 107.478 -171.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.412 HD22 ' HB2' ' A' ' 30' ' ' LEU . 42.1 mt -51.0 -37.04 42.64 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 125.649 1.58 . . . . 75.23 112.275 -175.119 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.79 -13.94 72.42 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-O 118.559 -1.134 . . . . 40.43 114.104 -178.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -133.52 14.08 4.1 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.746 1.273 . . . . 71.22 111.607 178.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.4 tp -122.65 30.92 6.27 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 124.78 1.232 . . . . 75.2 107.778 174.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.28 54.42 8.21 Favored Pre-proline 0 CA--C 1.536 0.405 0 C-N-CA 124.418 1.087 . . . . 74.14 113.032 -176.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -71.78 -18.25 28.57 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 121.803 1.668 . . . . 64.5 113.536 173.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -142.06 -24.04 0.68 Allowed 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 120.099 1.318 . . . . 75.41 113.915 -175.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -134.7 138.87 44.78 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 125.028 1.331 . . . . 73.43 107.455 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 t -129.06 94.99 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 105.888 -1.893 . . . . 72.34 105.888 -168.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.412 ' HB2' HD22 ' A' ' 21' ' ' LEU . 40.5 mt -89.04 160.18 17.21 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.954 0.902 . . . . 75.4 110.834 -165.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 m -98.68 23.54 8.57 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.521 -0.737 . . . . 54.5 112.758 -166.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 m 58.18 -45.8 0.05 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 127.585 2.354 . . . . 75.14 115.122 -167.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 p -58.56 -29.65 66.54 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 120.785 1.629 . . . . 74.41 111.95 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -57.74 -23.72 53.39 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 125.554 1.542 . . . . 74.3 112.65 173.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.6 t -108.86 99.09 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 123.909 0.884 . . . . 72.14 109.141 -164.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -64.38 104.24 0.75 Allowed 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.798 0.839 . . . . 75.43 109.692 172.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.3 t -110.75 91.45 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.12 0 C-N-CA 126.465 1.906 . . . . 54.21 108.044 172.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.9 mt -65.46 144.95 14.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 N-CA-C 106.377 -1.712 . . . . 72.45 106.377 164.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -123.03 159.46 28.37 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 124.328 1.051 . . . . 75.25 109.657 169.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.32 161.34 25.26 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.833 -1.076 . . . . 74.43 109.949 174.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -96.18 -19.9 19.0 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.353 0.871 . . . . 75.12 113.353 176.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -102.88 -36.52 8.2 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 117.972 -1.013 . . . . 54.41 108.938 -165.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.47 HG23 ' H ' ' A' ' 45' ' ' LEU . 13.7 t -103.43 -14.49 16.22 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 118.547 0.612 . . . . 64.45 111.419 173.267 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.6 mm-40 70.49 -12.73 0.51 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.253 1.421 . . . . 75.52 114.084 -168.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.47 ' H ' HG23 ' A' ' 43' ' ' THR . 84.9 mt -56.44 150.67 14.61 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 120.146 1.339 . . . . 63.13 111.739 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.448 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 8.8 p30 -63.54 160.95 15.49 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 108.918 -0.771 . . . . 61.11 108.918 170.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -76.26 -12.83 60.15 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.545 1.313 . . . . 73.43 114.545 -171.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.76 13.3 44.21 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 125.954 1.74 . . . . 71.4 112.641 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.463 ' HA ' HD23 ' A' ' 11' ' ' LEU . 21.7 p90 -152.69 165.75 34.3 Favored 'General case' 0 C--O 1.241 0.654 0 C-N-CA 125.948 1.699 . . . . 75.24 108.562 177.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -151.61 167.99 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 124.116 0.966 . . . . 75.12 109.497 175.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -131.62 108.05 9.25 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 106.943 -1.503 . . . . 72.12 106.943 -176.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.3 mt -73.43 133.46 31.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 N-CA-C 107.107 -1.442 . . . . 75.3 107.107 169.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -113.88 91.0 3.49 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 104.582 -2.377 . . . . 72.12 104.582 163.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.1 mt -81.25 178.85 8.13 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.028 -1.101 . . . . 75.22 108.028 163.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 t -71.7 173.24 8.41 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.723 -0.611 . . . . 62.21 109.53 164.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.9 p -58.43 -66.97 0.4 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.335 1.054 . . . . 73.54 110.936 -175.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.0 mm -63.92 -39.01 83.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 123.787 0.835 . . . . 60.42 109.305 -176.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.58 -52.2 64.56 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.555 1.142 . . . . 64.33 109.82 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.43 -50.95 69.48 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.391 1.077 . . . . 44.41 109.891 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.14 -52.1 66.65 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.779 0.831 . . . . 55.0 110.87 -174.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -59.56 -55.87 29.05 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 118.63 -0.7 . . . . 75.4 109.35 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -53.1 -48.06 68.1 Favored 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 123.772 0.829 . . . . 60.14 110.687 -174.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 tp -56.36 -55.25 35.85 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 122.899 0.48 . . . . 74.53 109.801 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -64.49 -33.99 77.18 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.266 0.626 . . . . 71.24 110.958 -174.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 36.3 mt -59.53 -63.38 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 123.755 0.822 . . . . 72.22 109.926 169.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.3 mt -54.08 -37.57 64.38 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.77 1.168 . . . . 74.21 112.527 -176.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -78.02 14.59 1.09 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.881 0.872 . . . . 70.54 112.491 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -117.64 -16.52 10.08 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 117.876 -1.059 . . . . 73.53 113.359 172.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 pp -127.2 179.99 5.16 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.552 1.141 . . . . 72.2 111.463 -159.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -45.41 144.71 2.24 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 124.608 1.163 . . . . 71.11 112.827 -177.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.12 160.73 47.47 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.251 1.967 . . . . 62.2 113.1 -172.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -60.73 139.67 86.76 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 123.679 2.919 . . . . 73.52 113.336 -174.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -73.7 123.46 24.13 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 127.635 2.374 . . . . 74.34 109.637 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.49 142.27 31.04 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.223 1.009 . . . . 75.31 110.297 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.463 HD13 HG23 ' A' ' 20' ' ' ILE . 0.2 OUTLIER -136.2 51.31 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 124.237 1.015 . . . . 72.5 109.816 177.574 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 t0 173.84 17.58 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 128.992 2.917 . . . . 63.12 111.316 162.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.08 33.75 62.1 Favored Glycine 0 CA--C 1.527 0.833 0 O-C-N 121.353 -0.842 . . . . 74.34 111.781 -165.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.468 ' HE3' HD11 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -126.56 96.03 4.54 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 120.746 -1.443 . . . . 71.34 111.76 171.13 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.7 m -59.43 111.78 1.51 Allowed 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.301 -1.499 . . . . 62.31 107.83 173.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.468 HD11 ' HE3' ' A' ' 78' ' ' LYS . 43.7 mm -64.34 144.27 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 N-CA-C 108.193 -1.04 . . . . 74.51 108.193 -178.062 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.5 162.69 13.54 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 123.016 0.527 . . . . 75.53 110.352 173.469 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.3 t -125.0 148.19 29.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 107.111 -1.44 . . . . 71.4 107.111 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -151.47 169.43 22.06 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 128.822 2.849 . . . . 74.52 107.209 169.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -130.18 139.81 50.81 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 126.586 1.955 . . . . 71.24 106.357 178.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -140.21 86.31 2.07 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 107.509 -1.293 . . . . 71.24 107.509 171.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.663 0 N-CA-C 106.949 -1.501 . . . . 74.41 106.949 -175.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 N--CA 1.445 -0.68 0 N-CA-C 104.799 -2.297 . . . . 62.34 104.799 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.0 m -115.05 104.44 11.89 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.491 -1.67 . . . . 51.34 106.491 173.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.1 mt -73.73 131.13 35.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 105.202 -2.147 . . . . 74.03 105.202 167.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.3 mt -111.07 147.58 14.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 106.817 -1.549 . . . . 74.02 106.817 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -110.3 155.67 21.77 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.624 1.169 . . . . 74.05 107.983 170.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.1 mtp85 -139.54 174.49 10.46 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.317 1.047 . . . . 73.01 110.388 173.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 53.4 t30 61.42 34.15 18.35 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.354 1.862 . . . . 54.11 112.16 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 49' ' ' PHE . 0.6 OUTLIER -72.28 129.0 37.39 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 106.393 -1.706 . . . . 74.24 106.393 170.094 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.405 ' HB2' ' HE2' ' A' ' 78' ' ' LYS . 2.7 m-20 -65.22 154.11 87.97 Favored Pre-proline 0 N--CA 1.47 0.56 0 N-CA-C 106.752 -1.573 . . . . 72.33 106.752 165.173 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -60.63 -23.63 76.31 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 123.501 2.801 . . . . 65.43 112.804 172.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 58.5 m170 -60.71 -27.93 68.26 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.545 1.066 . . . . 73.14 112.742 170.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 m -63.04 147.57 50.31 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 108.332 -0.988 . . . . 63.14 108.332 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.411 HG23 ' H ' ' A' ' 17' ' ' MET 0.255 2.5 t -129.44 -85.83 0.54 Allowed 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 107.18 -1.415 . . . . 73.02 107.18 -178.041 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.411 ' H ' HG23 ' A' ' 16' ' ' THR . 53.7 ttp -158.28 -66.65 0.09 Allowed 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 125.595 1.558 . . . . 72.43 108.046 175.113 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -61.71 -31.11 71.25 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 125.706 1.602 . . . . 74.01 111.61 -174.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.5 t -55.0 -46.55 75.18 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.639 1.576 . . . . 32.44 110.061 171.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.6 mt -71.89 -47.61 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 124.924 1.29 . . . . 74.33 107.796 -176.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.85 -15.87 45.76 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 118.632 -0.699 . . . . 73.12 111.919 176.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.75 -21.05 69.66 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-O 118.36 -1.245 . . . . 63.02 113.563 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -128.99 -39.64 1.56 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.804 1.302 . . . . 65.01 112.674 -173.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.5 tp -86.53 30.67 0.7 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.583 1.953 . . . . 64.23 109.844 176.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.476 ' HB1' HG22 ' A' ' 29' ' ' VAL . . . -114.67 53.47 0.72 Allowed Pre-proline 0 CA--C 1.551 1.007 0 O-C-N 121.172 -0.955 . . . . 52.32 112.109 166.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -75.28 -30.4 6.82 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.602 2.201 . . . . 71.32 113.821 171.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -139.73 -24.87 0.83 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.611 1.096 . . . . 74.05 112.861 -171.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.48 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -138.16 114.56 10.34 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 107.709 -1.219 . . . . 65.25 107.709 -171.018 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.476 HG22 ' HB1' ' A' ' 25' ' ' ALA . 6.9 t -131.02 87.6 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 108.1 -1.074 . . . . 70.14 108.1 -161.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -62.21 165.82 5.46 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.525 -0.761 . . . . 70.24 111.851 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 57.7 m -77.66 35.5 0.19 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.869 1.268 . . . . 62.03 111.505 168.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.1 m 63.63 -70.64 0.07 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.863 2.065 . . . . 65.32 112.275 -178.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -24.72 67.63 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 120.348 1.431 . . . . 22.31 112.688 -168.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -50.21 -29.77 10.1 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 124.988 1.315 . . . . 71.05 111.496 169.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.4 t -81.0 91.95 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 C-N-CA 124.853 1.261 . . . . 65.33 107.668 170.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.94 111.66 2.59 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 120.784 -1.197 . . . . 51.21 108.333 169.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -109.04 119.21 58.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 125.776 1.63 . . . . 72.31 107.9 164.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.6 mt -77.17 133.49 30.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 N-CA-C 106.481 -1.674 . . . . 72.45 106.481 165.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.72 142.56 43.9 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.45 1.1 . . . . 62.04 108.463 175.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -54.36 162.74 1.01 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.089 1.356 . . . . 65.45 111.256 168.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.97 -21.78 12.68 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.113 0.965 . . . . 73.21 111.465 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.72 -62.3 1.42 Allowed 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.659 -1.237 . . . . 64.44 107.659 173.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.2 p -83.41 -14.17 53.24 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 112.141 0.423 . . . . 73.24 112.141 -163.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 72.72 -13.77 0.63 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.758 2.023 . . . . 73.34 113.431 -177.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.38 -179.07 0.14 Allowed 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 128.276 2.63 . . . . 74.05 111.391 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -102.12 173.82 6.21 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.946 0.898 . . . . 73.01 110.094 175.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.6 mmp_? -88.05 -13.74 40.74 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 115.179 1.548 . . . . 71.25 115.179 -175.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.89 13.27 22.24 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 127.237 2.351 . . . . 62.32 114.129 171.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.446 ' HA ' HD23 ' A' ' 11' ' ' LEU . 14.1 p90 -152.96 173.33 15.53 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 127.392 2.277 . . . . 54.54 107.448 176.513 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -150.53 168.65 23.61 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 124.628 1.171 . . . . 63.12 108.915 175.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -135.46 110.56 8.89 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.339 1.055 . . . . 64.24 108.612 -172.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.3 mt -75.24 140.74 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 120.046 1.293 . . . . 73.14 108.994 168.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -121.54 112.73 18.85 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 123.828 0.851 . . . . 70.33 109.055 169.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.4 mt -121.37 178.44 4.79 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 125.061 1.345 . . . . 72.44 110.835 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.39 148.76 4.66 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.942 0.897 . . . . 72.14 109.371 156.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.7 m -48.39 -67.07 0.3 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.788 1.635 . . . . 74.44 110.898 171.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.6 mt -69.22 -37.05 75.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 N-CA-C 109.177 -0.675 . . . . 73.25 109.177 -169.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.44 -55.7 31.33 Favored 'General case' 0 CA--C 1.523 -0.093 0 C-N-CA 123.197 0.599 . . . . 72.42 110.515 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.79 -54.96 15.99 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.61 0.764 . . . . 73.23 110.83 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.46 -33.43 75.91 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.278 0.631 . . . . 52.52 112.599 -174.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -68.48 -56.88 6.87 Favored 'General case' 0 CA--C 1.515 -0.371 0 C-N-CA 123.42 0.688 . . . . 72.25 111.045 174.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -59.26 -44.8 92.39 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 123.634 0.774 . . . . 70.44 110.014 -171.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.92 -38.77 73.32 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 120.895 -0.322 . . . . 72.35 110.661 -175.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -62.4 -31.11 71.73 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 111.886 0.328 . . . . 74.33 111.886 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.0 mt -63.73 -54.18 35.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 N-CA-C 106.945 -1.502 . . . . 74.34 106.945 177.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.693 ' HA ' HD21 ' A' ' 69' ' ' LEU . 2.4 mm? -55.21 -13.44 1.28 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.945 2.098 . . . . 73.32 114.45 178.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -97.54 14.47 26.43 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.911 1.232 . . . . 61.32 113.07 175.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.23 -33.01 1.53 Allowed 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.854 1.798 . . . . 73.44 115.854 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.693 HD21 ' HA ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -58.84 175.77 0.25 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.789 1.236 . . . . 42.41 113.502 167.387 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -55.09 155.2 9.04 Favored Pre-proline 0 CA--C 1.542 0.639 0 C-N-CA 124.625 1.17 . . . . 74.35 111.079 162.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -63.53 165.72 17.21 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.815 3.01 . . . . 72.25 114.54 -175.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -68.28 143.87 60.19 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 123.5 2.8 . . . . 54.11 113.167 -173.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.3 120.7 24.14 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 124.955 1.302 . . . . 61.05 109.76 -176.143 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.62 153.82 42.48 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.862 0.865 . . . . 73.22 109.239 176.34 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -131.77 13.21 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 123.361 0.664 . . . . 63.35 111.506 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.445 ' CB ' ' HE3' ' A' ' 78' ' ' LYS . 1.5 t70 -171.21 32.84 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.252 1.021 . . . . 65.15 109.718 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.33 16.47 71.35 Favored Glycine 0 CA--C 1.534 1.237 0 O-C-N 120.663 -1.273 . . . . 71.22 114.415 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.445 ' HE3' ' CB ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -117.14 108.63 15.93 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 127.726 2.41 . . . . 71.44 108.565 178.645 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 56.0 m -76.57 114.75 15.64 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.019 -1.104 . . . . 62.02 108.019 175.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 32.7 mm -61.11 157.6 2.94 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 125.986 1.714 . . . . 73.13 108.681 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.12 159.65 21.45 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.894 1.678 . . . . 54.55 108.327 173.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.5 t -121.17 136.69 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 125.171 1.389 . . . . 71.34 107.608 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -128.72 163.33 25.37 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 124.521 1.129 . . . . 61.02 109.587 165.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -127.03 93.22 3.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.064 -1.425 . . . . 73.31 108.78 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.0 86.16 7.36 Favored 'General case' 0 C--O 1.226 -0.137 0 N-CA-C 107.869 -1.16 . . . . 61.13 107.869 168.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.7 tptt . . . . . 0 CA--C 1.511 -0.554 0 C-N-CA 127.791 2.437 . . . . 72.41 107.959 174.404 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 CA--C 1.537 0.449 0 N-CA-C 105.502 -2.036 . . . . 74.24 105.502 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.2 m -146.78 131.49 17.92 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 105.428 -2.064 . . . . 74.35 105.428 150.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.6 mt -106.05 132.85 52.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 105.541 -2.022 . . . . 64.11 105.541 169.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.8 mt -100.82 132.19 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 N-CA-C 106.626 -1.62 . . . . 54.44 106.626 170.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.1 mt -89.65 151.07 22.07 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.179 -1.045 . . . . 63.12 108.179 164.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 mtp-105 -133.02 172.76 12.2 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.458 1.103 . . . . 72.33 108.773 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.0 t30 57.83 42.02 23.93 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 125.097 1.359 . . . . 71.12 110.19 175.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.7 mt -89.34 130.48 35.71 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 105.233 -2.136 . . . . 71.14 105.233 171.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -73.62 159.14 85.23 Favored Pre-proline 0 C--O 1.237 0.435 0 N-CA-C 109.946 -0.39 . . . . 72.04 109.946 -177.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.36 -42.21 58.07 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 123.732 2.955 . . . . 75.02 111.993 174.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -67.45 -17.04 64.54 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.876 1.27 . . . . 75.02 113.987 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.5 m -70.68 172.97 7.76 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 120.786 -1.196 . . . . 75.12 109.855 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.283 1.7 t -129.2 -86.03 0.55 Allowed 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 106.031 -1.841 . . . . 62.04 106.031 165.427 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.535 ' HB3' HG21 ' A' ' 37' ' ' VAL . 3.6 ptp -159.45 -40.48 0.06 Allowed 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 119.964 1.256 . . . . 74.35 109.542 166.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.31 -25.63 68.4 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.007 0.367 . . . . 73.21 111.591 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -49.18 -43.07 41.83 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.344 1.458 . . . . 73.24 110.667 169.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.1 mp -87.34 -48.99 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 C-N-CA 125.447 1.499 . . . . 64.44 108.647 -178.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.446 HD21 HG21 ' A' ' 35' ' ' VAL . 81.8 mt -65.05 -28.7 69.66 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 113.51 0.93 . . . . 75.23 113.51 -166.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -97.02 14.14 64.19 Favored Glycine 0 CA--C 1.523 0.544 0 CA-C-O 118.765 -1.02 . . . . 61.23 113.121 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -124.38 -64.63 1.1 Allowed 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.617 1.567 . . . . 61.25 107.971 175.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.77 45.53 1.3 Allowed 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 127.071 2.148 . . . . 74.32 110.145 -169.028 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.634 ' HB1' HG22 ' A' ' 29' ' ' VAL . . . -122.03 54.0 4.86 Favored Pre-proline 0 CA--C 1.539 0.544 0 O-C-N 121.202 -0.936 . . . . 75.54 112.52 171.257 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -72.52 -18.41 25.84 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.901 1.734 . . . . 60.32 113.561 171.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -129.93 -25.06 2.58 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 119.098 0.863 . . . . 75.54 113.162 -173.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.43 116.18 6.33 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 107.835 -1.172 . . . . 74.53 107.835 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.634 HG22 ' HB1' ' A' ' 25' ' ' ALA . 31.6 t -105.91 95.96 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 107.133 -1.432 . . . . 55.11 107.133 179.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -76.96 164.12 26.07 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 110.438 -0.208 . . . . 72.55 110.438 172.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 m -83.66 160.94 21.24 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.645 0.736 . . . . 62.03 110.916 155.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.2 p -60.4 -28.16 68.02 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.05 0.94 . . . . 63.11 112.854 173.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 p -67.14 -33.04 74.59 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 124.409 1.083 . . . . 72.14 111.713 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -73.68 -22.67 59.87 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 117.945 -1.026 . . . . 64.44 110.293 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.446 HG21 HD21 ' A' ' 21' ' ' LEU . 41.4 t -108.6 88.47 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-O 123.105 1.431 . . . . 52.54 109.331 -172.393 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -65.22 109.46 2.23 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 114.373 -1.285 . . . . 73.03 109.88 172.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.535 HG21 ' HB3' ' A' ' 17' ' ' MET . 41.2 t -110.29 107.53 23.14 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.18 0 C-N-CA 125.762 1.625 . . . . 75.45 107.124 169.25 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 49.3 mt -66.38 119.45 11.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 N-CA-C 106.568 -1.641 . . . . 72.35 106.568 167.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -82.57 154.56 24.94 Favored 'General case' 0 N--CA 1.44 -0.937 0 N-CA-C 108.658 -0.868 . . . . 73.32 108.658 162.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -60.51 -26.38 66.8 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.895 0.855 . . . . 74.01 110.212 163.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm 75.14 -67.98 0.23 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 127.937 2.495 . . . . 64.31 107.751 -171.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -61.46 -47.36 86.03 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 120.002 1.274 . . . . 72.45 113.791 -169.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.7 p -74.63 -13.32 60.63 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.601 0.76 . . . . 75.42 110.839 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 63.26 14.33 7.71 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 129.945 3.298 . . . . 63.23 112.706 -170.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.6 mt -91.93 175.28 6.94 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.08 0.952 . . . . 61.15 109.316 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -88.51 -173.3 4.11 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.631 0.772 . . . . 75.23 109.864 172.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -95.54 -13.82 24.14 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.423 -0.798 . . . . 74.02 112.025 161.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.99 12.97 51.31 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.394 1.473 . . . . 52.55 114.203 168.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -135.61 165.85 24.58 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.386 1.475 . . . . 75.31 107.215 161.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.73 160.95 37.82 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 124.238 1.015 . . . . 71.21 109.184 175.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -118.65 108.92 15.51 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.779 -1.193 . . . . 74.22 107.779 -177.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 18.8 mt -79.68 142.81 13.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 125.149 1.379 . . . . 72.45 108.195 170.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -128.91 95.75 4.17 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 126.466 1.907 . . . . 61.31 107.801 171.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mt -96.79 -173.01 2.6 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.033 0.933 . . . . 73.32 110.497 -177.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.46 151.31 46.65 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.018 1.327 . . . . 71.44 108.623 157.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.7 m -48.31 -60.18 2.86 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.266 1.026 . . . . 60.43 111.517 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.7 mm -69.63 -45.16 78.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 C-N-CA 123.418 0.687 . . . . 75.24 109.245 -173.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -55.19 -45.52 75.82 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.203 0.601 . . . . 74.34 109.948 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.26 -54.0 35.83 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.959 1.304 . . . . 60.44 109.534 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.21 -48.49 81.25 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.193 0.997 . . . . 71.41 110.712 -169.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -66.05 -51.92 53.76 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.336 0.655 . . . . 74.23 110.146 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -52.91 -41.79 64.76 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 123.817 0.847 . . . . 75.52 111.389 -178.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.3 tp -56.09 -48.95 75.16 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.241 -0.651 . . . . 71.25 109.241 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -61.19 -34.95 75.9 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 117.802 0.274 . . . . 71.12 111.481 -179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 67.1 mt -64.69 -54.52 29.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 108.276 -1.009 . . . . 73.32 108.276 175.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.9 mt -56.39 -18.99 12.78 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.888 1.069 . . . . 74.45 113.888 175.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -97.82 12.88 32.45 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 118.983 0.811 . . . . 63.52 111.733 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -147.71 -21.39 0.37 Allowed 'General case' 0 C--O 1.236 0.36 0 N-CA-C 115.176 1.547 . . . . 75.35 115.176 -175.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -175.25 5.32 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.465 1.106 . . . . 75.35 112.525 178.135 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.33 144.84 81.95 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 123.559 0.744 . . . . 64.12 112.404 171.566 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -66.09 160.16 46.0 Favored 'Trans proline' 0 N--CA 1.455 -0.764 1 C-N-CA 125.64 4.227 . . . . 72.44 113.724 -171.53 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -77.26 149.09 27.65 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 123.271 2.647 . . . . 64.11 114.911 -171.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.29 122.52 18.53 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 127.961 2.504 . . . . 62.41 109.08 171.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.87 144.23 43.47 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 124.48 1.112 . . . . 52.55 110.233 179.173 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.0 17.78 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.144 0.978 . . . . 74.42 111.966 -176.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.491 ' HB3' ' HE3' ' A' ' 78' ' ' LYS . 15.7 t70 -164.58 29.07 0.07 Allowed 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.121 -0.987 . . . . 74.23 110.214 167.129 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.32 18.07 77.96 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.332 0.968 . . . . 43.35 114.676 -170.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.491 ' HE3' ' HB3' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -121.48 119.19 31.3 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.719 2.008 . . . . 74.15 110.82 175.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.04 124.66 26.68 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 120.877 -1.14 . . . . 54.44 110.51 174.153 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.1 mm -67.25 147.84 12.36 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 119.535 1.062 . . . . 74.41 110.063 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -130.07 176.29 8.2 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 124.548 1.139 . . . . 60.01 111.454 174.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 t -133.56 136.42 54.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 124.215 1.006 . . . . 74.34 108.94 -167.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -125.23 164.14 20.95 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.201 -1.037 . . . . 72.14 108.201 158.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -119.06 111.73 18.66 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 105.749 -1.945 . . . . 75.31 105.749 178.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.03 47.67 1.09 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 124.661 1.185 . . . . 64.15 109.198 -172.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.458 ' HA ' ' HE2' ' A' ' 86' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.323 0 N-CA-C 107.777 -1.194 . . . . 72.34 107.777 176.244 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.4 ' OD1' ' HE2' ' A' ' 86' ' ' LYS . 1.6 m-20 . . . . . 0 N--CA 1.444 -0.735 0 CA-C-O 125.143 2.401 . . . . 72.55 111.998 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.0 m -115.77 123.81 49.19 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 111.577 -2.556 . . . . 63.21 108.794 171.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 52.2 mt -93.98 117.4 37.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 104.399 -2.445 . . . . 65.25 104.399 159.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.2 mp -92.38 144.11 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 106.43 -1.693 . . . . 71.35 106.43 172.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.444 ' HB3' HD21 ' A' ' 11' ' ' LEU . 10.0 mp -110.28 150.78 28.23 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 106.997 -1.483 . . . . 64.12 106.997 167.34 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.4 mtp85 -130.18 170.72 13.7 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 107.421 -1.326 . . . . 74.43 107.421 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 51.1 t30 67.3 30.11 7.23 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.014 1.725 . . . . 72.44 113.222 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.444 HD21 ' HB3' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -73.46 117.34 15.1 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 119.901 -1.749 . . . . 74.15 107.454 174.404 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.499 ' H ' ' HE3' ' A' ' 78' ' ' LYS . 2.2 m-20 -67.96 162.26 60.65 Favored Pre-proline 0 C--O 1.235 0.336 0 C-N-CA 123.56 0.744 . . . . 72.43 110.167 175.099 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.739 ' HB2' HD22 ' A' ' 45' ' ' LEU . 71.6 Cg_endo -71.02 -31.54 14.8 Favored 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 123.547 2.831 . . . . 60.21 112.128 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.64 -14.98 61.72 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.47 1.108 . . . . 73.0 113.688 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.0 m -90.36 166.49 13.27 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.903 1.229 . . . . 72.44 109.877 167.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 t -135.83 -39.92 0.7 Allowed 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 125.268 1.427 . . . . 61.41 110.058 176.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.6 ttp -175.06 -60.08 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.693 0 C-N-CA 126.101 1.76 . . . . 74.24 108.686 165.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -51.85 -31.57 28.38 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 126.412 1.885 . . . . 65.41 113.153 -163.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.7 m -63.35 -59.62 4.46 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 109.988 -0.375 . . . . 75.23 109.988 173.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.3 mt -53.69 -43.83 56.45 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 C-N-CA 124.474 1.11 . . . . 73.35 108.302 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.7 tp -69.13 -21.85 64.0 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 113.567 0.951 . . . . 72.55 113.567 -166.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -107.37 -22.48 7.42 Favored Glycine 0 CA--C 1.526 0.779 0 CA-C-O 119.218 -0.768 . . . . 52.03 112.452 177.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.23 -46.88 12.16 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 118.79 1.295 . . . . 62.45 109.393 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.0 tp -81.78 20.17 0.99 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.899 0.88 . . . . 63.25 110.133 -173.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.51 53.27 2.95 Favored Pre-proline 0 CA--C 1.543 0.699 0 C-N-CA 125.124 1.37 . . . . 72.41 113.862 -171.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -68.79 -23.22 35.84 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 121.397 1.398 . . . . 60.41 112.112 167.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -130.53 -24.22 2.52 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.573 1.149 . . . . 73.15 112.704 -176.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.53 103.58 4.11 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.792 0.837 . . . . 72.23 110.351 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.7 t -80.54 108.07 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 104.121 -2.548 . . . . 62.43 104.121 157.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.16 157.03 35.27 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 119.528 -0.869 . . . . 71.11 109.934 167.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 m -84.69 155.34 21.98 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 121.98 0.895 . . . . 65.14 109.271 168.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.4 p -64.19 -24.92 67.85 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 114.008 1.114 . . . . 73.14 114.008 -172.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 t -64.52 -48.42 75.18 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.231 -0.655 . . . . 64.45 109.231 173.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -63.08 -17.92 62.82 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 124.978 1.311 . . . . 71.54 112.405 -172.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.2 t -118.31 96.24 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-O 122.719 1.247 . . . . 71.13 109.935 -170.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.4 112.42 16.62 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 108.125 -1.065 . . . . 54.52 108.125 170.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.5 t -108.1 101.48 12.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 103.761 -2.681 . . . . 65.34 103.761 160.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.1 mt -68.57 136.23 26.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 N-CA-C 106.055 -1.832 . . . . 72.32 106.055 171.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -129.82 160.93 31.97 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.63 0.772 . . . . 62.3 109.331 177.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -68.67 -175.48 0.68 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.778 0.831 . . . . 64.33 112.024 -175.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.21 -40.81 4.33 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.363 1.465 . . . . 61.01 111.234 174.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -101.99 -36.82 8.47 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.388 0.675 . . . . 51.21 110.801 -172.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.3 p -81.24 -21.5 39.42 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.752 0.705 . . . . 73.31 110.716 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.2 mm-40 56.95 44.78 22.42 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.765 2.026 . . . . 54.12 111.304 -174.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.739 HD22 ' HB2' ' A' ' 13' ' ' PRO . 9.1 mt -137.83 159.8 41.01 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.536 1.062 . . . . 63.1 110.862 177.404 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -56.97 162.89 2.23 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.18 1.392 . . . . 61.24 111.822 178.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.95 -14.53 61.06 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.035 -1.04 . . . . 70.13 111.754 167.653 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.89 -14.31 52.74 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 119.937 1.244 . . . . 73.04 114.229 178.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.442 ' HA ' HD23 ' A' ' 11' ' ' LEU . 6.3 p90 -128.53 163.73 24.33 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 119.51 1.655 . . . . 64.43 109.235 169.069 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -147.09 157.01 43.47 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.727 1.211 . . . . 64.44 110.406 -171.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -130.12 99.09 4.94 Favored 'General case' 0 C--N 1.334 -0.093 0 C-N-CA 124.423 1.089 . . . . 73.1 111.321 -158.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.6 mt -79.59 137.87 20.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 N-CA-C 108.061 -1.088 . . . . 71.22 108.061 170.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -121.06 119.02 31.26 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.734 2.014 . . . . 73.55 105.766 169.028 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.2 mt -124.22 169.01 12.16 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.519 1.128 . . . . 73.14 108.681 176.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.405 ' HB3' ' CG ' ' A' ' 58' ' ' GLU . 10.2 t -65.24 164.6 13.03 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.119 0.568 . . . . 63.25 110.44 175.599 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.5 p -53.29 -67.18 0.28 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.235 1.414 . . . . 50.45 111.722 -167.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.4 mm -68.75 -37.92 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 O-C-N 121.271 -0.893 . . . . 71.45 110.186 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.405 ' CG ' ' HB3' ' A' ' 55' ' ' SER . 16.6 mm-40 -57.93 -49.35 77.05 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 124.41 1.084 . . . . 74.55 110.904 -173.505 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.17 -54.04 41.7 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.045 1.338 . . . . 72.43 110.445 176.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.76 -43.84 92.0 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.934 0.493 . . . . 71.44 110.556 -176.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -59.43 -56.29 23.9 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 123.799 0.84 . . . . 64.14 110.301 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -54.53 -52.1 63.09 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 124.373 1.046 . . . . 75.23 109.261 -177.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.9 tp -50.54 -53.6 28.98 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.685 0.794 . . . . 73.14 110.623 -176.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -63.92 -23.44 67.34 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.62 0.6 . . . . 64.22 112.62 -172.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.7 mt -66.69 -59.88 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 N-CA-C 108.002 -1.11 . . . . 75.23 108.002 174.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.17 -22.81 63.38 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.289 -0.882 . . . . 54.03 112.698 -178.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -84.97 14.43 4.92 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.008 1.323 . . . . 71.44 113.273 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.51 -43.32 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 123.777 0.831 . . . . 64.45 111.99 -178.143 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 pp -77.08 -168.89 1.18 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.219 1.408 . . . . 44.31 112.565 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -53.05 157.16 3.08 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 126.354 1.862 . . . . 63.44 113.214 -177.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -66.56 161.52 40.98 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 123.209 2.606 . . . . 71.43 112.151 -176.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -63.76 141.82 80.35 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 123.107 2.538 . . . . 74.31 112.648 -176.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.53 114.48 16.41 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 126.153 1.781 . . . . 72.42 108.613 -175.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.2 t -71.08 159.34 34.88 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.955 0.883 . . . . 75.41 110.826 172.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -138.44 15.95 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 125.968 1.707 . . . . 73.31 110.399 -175.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.1 t70 178.19 42.62 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 127.563 2.345 . . . . 44.14 109.093 173.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.46 -14.23 1.89 Allowed Glycine 0 CA--C 1.535 1.298 0 O-C-N 120.286 -1.509 . . . . 55.33 115.716 -178.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.499 ' HE3' ' H ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -83.63 109.45 17.45 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 120.342 2.071 . . . . 71.15 109.371 177.777 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.53 113.92 6.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 121.205 1.82 . . . . 75.43 108.694 174.616 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.6 mm -59.12 165.27 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-O 122.232 1.015 . . . . 74.22 109.306 178.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.48 161.13 27.79 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 126.97 2.108 . . . . 52.35 107.217 -176.267 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 19.4 t -129.83 143.24 41.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 105.543 -2.021 . . . . 62.31 105.543 177.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.08 165.05 28.5 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 124.969 1.308 . . . . 75.31 108.413 178.121 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -141.17 105.34 4.81 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.15 -1.055 . . . . 75.51 108.15 -174.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.13 65.79 1.21 Allowed 'General case' 0 C--O 1.239 0.519 0 CA-C-O 122.716 1.246 . . . . 45.25 109.592 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HE2' ' OD1' ' A' ' 4' ' ' ASP . 3.6 tmtt? . . . . . 0 CA--C 1.544 0.739 0 C-N-CA 128.869 2.867 . . . . 73.22 111.921 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 CA--C 1.533 0.292 0 CA-C-O 122.619 1.2 . . . . 51.33 108.456 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.7 m -120.38 124.47 45.58 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 125.006 1.322 . . . . 72.23 108.441 -174.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 52' ' ' ILE . 18.2 mt -86.96 134.11 28.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 106.135 -1.802 . . . . 74.23 106.135 165.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mp -112.0 155.1 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 106.897 -1.52 . . . . 51.23 106.897 162.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.6 mt -125.58 159.67 31.52 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 125.286 1.435 . . . . 75.44 108.704 177.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.504 ' HB2' ' HB2' ' A' ' 81' ' ' ASN . 33.7 mtt-85 -134.35 163.15 30.3 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.86 0.864 . . . . 73.12 109.42 173.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 58.8 t30 74.18 39.57 0.48 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.639 1.976 . . . . 71.11 112.698 175.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.37 97.85 10.22 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 120.207 -1.558 . . . . 63.42 108.208 176.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.569 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 2.1 m-20 -49.53 154.6 1.57 Allowed Pre-proline 0 N--CA 1.479 0.994 0 C-N-CA 123.846 0.858 . . . . 74.24 111.068 175.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.444 ' HB2' HD22 ' A' ' 45' ' ' LEU . 30.9 Cg_endo -56.49 -47.73 22.48 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.694 2.929 . . . . 72.3 112.129 -175.108 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -83.86 13.86 4.51 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.479 0.918 . . . . 73.33 113.479 -175.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.6 t -73.57 -22.54 60.03 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 114.816 1.413 . . . . 74.45 114.816 -172.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.13 -164.86 0.22 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.954 1.302 . . . . 53.23 112.939 -175.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 61.9 ttp -115.46 -59.02 2.06 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 124.433 1.093 . . . . 62.12 109.191 170.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -60.57 -30.48 69.82 Favored 'General case' 0 N--CA 1.462 0.142 0 O-C-N 123.482 0.489 . . . . 70.44 111.353 -173.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.6 t -49.68 -63.47 1.1 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.942 1.697 . . . . 64.01 110.065 168.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.6 mt -60.31 -42.79 91.94 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.253 0 C-N-CA 125.727 1.611 . . . . 75.14 109.616 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.462 HD21 HG21 ' A' ' 35' ' ' VAL . 36.3 mt -53.95 -44.32 70.61 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 119.575 1.08 . . . . 75.22 109.76 177.468 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -86.38 14.18 55.46 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-O 117.281 -1.844 . . . . 73.41 115.232 -177.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.55 -37.85 0.68 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.137 1.468 . . . . 73.55 112.786 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 tp -95.14 31.31 1.94 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 127.27 2.228 . . . . 44.02 110.042 -178.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.404 ' HB1' ' HA ' ' A' ' 29' ' ' VAL . . . -128.77 54.29 13.63 Favored Pre-proline 0 CA--C 1.54 0.574 0 O-C-N 121.202 -0.937 . . . . 73.15 112.119 173.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.86 -32.86 13.31 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 121.386 1.391 . . . . 72.52 112.15 176.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -107.15 -28.36 10.01 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 117.96 -1.019 . . . . 60.11 112.834 -174.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.95 133.93 12.26 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 125.617 1.567 . . . . 71.51 108.717 -169.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.404 ' HA ' ' HB1' ' A' ' 25' ' ' ALA . 17.0 t -112.66 96.35 4.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 118.917 0.781 . . . . 72.51 111.063 -163.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.59 169.95 6.97 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 125.794 1.637 . . . . 74.23 112.91 177.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.9 m -130.45 163.87 26.02 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.804 1.642 . . . . 73.45 111.679 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.8 p -76.44 -24.94 53.96 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 115.706 1.743 . . . . 74.12 115.706 -163.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.6 t -69.17 -34.86 75.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 119.13 0.877 . . . . 53.02 109.669 172.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -68.55 -37.42 79.93 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.639 -0.504 . . . . 63.24 109.639 -176.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.462 HG21 HD21 ' A' ' 21' ' ' LEU . 42.4 t -90.41 144.72 8.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 123.881 0.872 . . . . 64.21 110.784 -174.342 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.82 90.95 2.9 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 120.676 -1.265 . . . . 74.05 110.275 -173.687 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.6 t -93.58 85.79 2.0 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 C-N-CA 127.442 2.297 . . . . 72.12 107.978 169.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.6 mt -59.62 122.96 11.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 C-N-CA 125.83 1.652 . . . . 70.43 106.917 171.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -92.9 156.65 16.81 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 118.931 0.787 . . . . 73.44 109.766 172.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -71.3 175.97 4.95 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 118.652 0.66 . . . . 73.33 110.944 166.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -112.06 -14.69 13.4 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 114.53 1.307 . . . . 63.11 114.53 169.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.32 -56.41 2.63 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 120.233 1.379 . . . . 72.2 109.547 175.315 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.9 p -74.63 -15.1 60.83 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 119.59 1.087 . . . . 74.34 112.202 -174.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 68.22 -14.31 0.25 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.864 1.666 . . . . 70.32 113.318 -168.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.444 HD22 ' HB2' ' A' ' 13' ' ' PRO . 13.8 mt -71.9 -172.7 0.88 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.673 1.589 . . . . 53.12 110.239 -174.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.5 p30 -75.9 -173.74 2.4 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.748 2.019 . . . . 74.04 112.287 167.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -111.85 -13.83 13.62 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.162 1.785 . . . . 73.33 113.53 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.79 14.5 36.93 Favored Glycine 0 N--CA 1.469 0.873 0 CA-C-N 119.914 1.234 . . . . 51.23 114.698 172.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -145.42 168.18 21.16 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 125.645 1.578 . . . . 75.01 106.814 170.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -146.31 158.09 43.85 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 120.418 -1.426 . . . . 75.23 108.7 166.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -113.08 160.11 18.51 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.066 -1.457 . . . . 71.53 107.066 176.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 45.1 mt -142.23 118.97 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 126.776 2.03 . . . . 74.25 105.611 177.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -111.89 86.44 2.34 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 105.541 -2.022 . . . . 61.33 105.541 -177.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 mt -85.52 -171.88 3.84 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.556 -0.715 . . . . 71.53 109.358 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.1 t -68.79 159.01 33.19 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 108.892 -0.781 . . . . 71.35 108.892 162.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 p -45.23 -68.92 0.16 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 127.19 2.196 . . . . 72.13 111.641 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.3 mm -62.32 -46.0 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 C-N-CA 125.212 1.405 . . . . 73.24 109.396 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -60.5 -48.8 80.16 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 123.087 0.555 . . . . 71.32 111.334 -175.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.88 -40.14 79.53 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.404 1.082 . . . . 63.53 111.14 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.96 -59.0 3.6 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.393 0.677 . . . . 72.13 110.328 174.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -48.74 -57.81 5.75 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 125.162 1.385 . . . . 42.23 110.161 -177.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -55.17 -51.04 67.78 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 124.615 1.166 . . . . 64.54 110.085 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.8 tt -57.07 -47.49 80.88 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-O 118.602 -0.713 . . . . 51.33 110.608 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -56.67 -35.8 68.85 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 122.981 0.512 . . . . 74.24 112.314 -175.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.4 mt -59.64 -65.12 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 124.559 1.144 . . . . 71.44 110.042 177.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.16 -14.55 25.82 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.767 0.827 . . . . 51.01 113.03 -176.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -95.88 14.8 22.23 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.497 1.519 . . . . 43.04 111.858 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -142.24 13.95 2.02 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 114.071 1.137 . . . . 74.31 114.071 -178.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.3 pp -163.07 145.01 10.06 Favored 'General case' 0 CA--C 1.514 -0.442 0 O-C-N 120.679 -1.263 . . . . 72.44 110.116 -175.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 55.61 167.22 0.05 OUTLIER Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.835 1.254 . . . . 74.15 113.502 175.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -69.15 169.57 17.83 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 121.086 1.191 . . . . 74.13 110.252 166.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -64.81 157.0 58.68 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 122.862 2.375 . . . . 73.21 111.258 158.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.496 HD13 ' H ' ' A' ' 74' ' ' THR . 0.2 OUTLIER -91.3 170.83 9.66 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 127.827 2.451 . . . . 72.54 108.657 -175.307 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.496 ' H ' HD13 ' A' ' 73' ' ' LEU . 10.7 t -145.23 151.15 37.93 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 121.579 -0.7 . . . . 75.34 111.255 164.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -138.2 18.52 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 127.248 2.219 . . . . 55.33 110.343 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -163.7 31.04 0.08 Allowed 'General case' 0 N--CA 1.48 1.072 0 O-C-N 119.525 -1.984 . . . . 72.35 109.567 167.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.72 13.75 59.48 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 125.017 1.294 . . . . 44.55 114.792 -173.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.569 ' HE3' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -112.36 113.96 26.43 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 119.194 1.497 . . . . 72.01 108.971 173.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.93 120.13 18.13 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.324 -0.86 . . . . 63.43 109.212 -177.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.7 mm -71.97 134.52 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 N-CA-C 109.425 -0.583 . . . . 72.31 109.425 -173.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.504 ' HB2' ' HB2' ' A' ' 9' ' ' ARG . 1.0 OUTLIER -91.5 157.89 16.78 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.436 1.494 . . . . 73.32 108.614 169.394 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.5 t -127.02 149.58 32.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 124.902 1.281 . . . . 74.53 107.579 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -142.97 164.53 29.84 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 125.683 1.593 . . . . 71.23 109.096 174.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -138.26 88.32 2.3 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 125.143 1.377 . . . . 74.25 108.161 -174.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -93.08 76.77 4.67 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 107.724 -1.213 . . . . 41.35 107.724 176.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? . . . . . 0 N--CA 1.443 -0.808 0 N-CA-C 108.499 -0.926 . . . . 73.12 108.499 -174.882 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.41 ' OD2' ' HE2' ' A' ' 86' ' ' LYS . 1.7 m-20 . . . . . 0 N--CA 1.448 -0.54 0 N-CA-C 104.297 -2.483 . . . . 54.45 104.297 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.5 m -98.45 134.04 41.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.206 -0.906 . . . . 72.41 109.101 174.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.0 mt -97.35 131.62 43.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 N-CA-C 104.988 -2.227 . . . . 75.4 104.988 163.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.6 mt -106.77 150.78 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 106.056 -1.831 . . . . 75.41 106.056 172.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 mp -120.83 155.23 34.52 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 125.061 1.344 . . . . 60.04 107.488 175.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.9 mtp85 -138.59 173.91 11.09 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.721 0.808 . . . . 71.12 109.562 175.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.7 t30 62.54 30.26 17.09 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.797 2.039 . . . . 71.21 112.184 -174.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.502 HD23 ' HA ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -71.7 124.24 24.31 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 119.545 -1.972 . . . . 71.34 105.943 173.319 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.415 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 1.9 m-20 -64.11 153.07 86.37 Favored Pre-proline 0 C--O 1.236 0.385 0 CA-C-O 118.9 -0.571 . . . . 73.13 109.685 175.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -59.21 -43.89 38.15 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 122.961 2.441 . . . . 63.1 111.34 172.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -66.71 -14.76 62.91 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.903 1.281 . . . . 75.3 113.932 176.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 t -69.44 164.46 23.0 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 120.024 1.283 . . . . 75.43 109.334 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 19' ' ' SER . 12.4 t -124.63 -164.24 1.25 Allowed 'General case' 0 C--O 1.236 0.384 0 N-CA-C 107.463 -1.31 . . . . 74.4 107.463 168.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 51.5 ttm -85.21 -55.67 3.92 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 126.565 1.946 . . . . 75.04 107.233 169.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -57.74 -28.9 64.32 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.065 1.346 . . . . 62.03 112.471 -168.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.485 ' H ' HG23 ' A' ' 16' ' ' THR . 68.5 p -71.36 -56.29 6.27 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.598 -0.89 . . . . 64.04 108.598 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mt -54.16 -42.68 57.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 125.766 1.627 . . . . 71.33 108.857 175.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.88 -21.47 64.73 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 117.503 -1.236 . . . . 72.1 113.712 -178.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -113.11 13.97 23.76 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 119.763 1.165 . . . . 54.33 113.444 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.504 ' HB3' HG12 ' A' ' 75' ' ' ILE . . . -144.51 -21.62 0.53 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 118.601 1.2 . . . . 63.33 113.386 -178.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 tp -94.06 14.56 19.49 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.957 0.799 . . . . 60.23 109.392 168.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.94 52.42 2.26 Favored Pre-proline 0 CA--C 1.544 0.714 0 N-CA-C 113.41 0.893 . . . . 71.41 113.41 -173.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.408 ' HG2' ' CD2' ' A' ' 27' ' ' TYR . 49.3 Cg_endo -73.8 -32.46 7.36 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 121.934 1.756 . . . . 71.22 111.259 165.04 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.408 ' CD2' ' HG2' ' A' ' 26' ' ' PRO . 73.9 m-85 -109.18 -34.54 6.55 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 119.125 0.875 . . . . 75.41 112.892 -168.431 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.35 141.78 33.82 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.689 -1.226 . . . . 75.41 107.689 173.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.6 t -117.18 98.78 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 N-CA-C 106.126 -1.805 . . . . 71.24 106.126 -174.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.4 mt -75.51 178.5 5.92 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.007 1.323 . . . . 64.44 110.074 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 t -124.59 171.94 9.63 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 122.141 0.972 . . . . 74.2 110.961 169.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.5 m -68.91 -24.44 64.3 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.971 1.309 . . . . 64.3 113.324 -169.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.6 t -80.39 -25.77 38.91 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.656 1.117 . . . . 73.13 110.573 172.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -69.98 -47.99 60.01 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 119.3 0.955 . . . . 54.31 108.813 176.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.0 t -75.21 143.65 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 121.768 0.794 . . . . 62.1 110.056 -177.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -129.05 112.35 13.92 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 106.946 -1.501 . . . . 71.33 106.946 168.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.2 t -110.1 100.23 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 104.793 -2.299 . . . . 74.02 104.793 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.1 mt -74.42 128.29 36.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 N-CA-C 106.344 -1.724 . . . . 60.34 106.344 177.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 46' ' ' ASN . 92.1 mttt -89.1 155.51 19.4 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 123.108 0.563 . . . . 73.13 110.131 172.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -30.07 56.72 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.327 1.451 . . . . 54.53 111.771 174.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.1 mttp 73.84 -20.93 0.28 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 127.376 2.27 . . . . 75.11 113.914 163.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.1 -65.87 0.64 Allowed 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 107.796 -1.187 . . . . 62.4 107.796 157.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.6 p -92.12 12.7 21.23 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.971 0.805 . . . . 64.13 112.138 -172.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 58.73 -13.73 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 127.955 2.502 . . . . 61.0 115.716 -171.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.4 mt -59.5 168.92 1.41 Allowed 'General case' 0 C--O 1.231 0.11 0 C-N-CA 125.271 1.428 . . . . 63.43 111.1 -177.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 12.8 m-20 -74.38 179.21 4.71 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.878 -0.415 . . . . 55.22 109.878 169.144 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -89.55 -14.07 35.94 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.692 0.997 . . . . 62.24 113.692 170.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.86 12.71 49.18 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 125.156 1.36 . . . . 53.12 114.153 174.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.502 ' HA ' HD23 ' A' ' 11' ' ' LEU . 31.4 p90 -142.45 161.93 36.77 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 127.554 2.341 . . . . 75.24 107.004 170.388 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -143.56 175.18 10.14 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.011 0.924 . . . . 75.43 108.513 177.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -137.12 164.58 28.11 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.267 1.427 . . . . 73.21 108.204 -175.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.9 mt -137.96 125.76 30.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 128.37 2.668 . . . . 51.11 105.898 175.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -116.65 100.69 8.0 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 106.889 -1.523 . . . . 74.24 106.889 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 mt -118.24 -174.77 2.73 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.47 1.508 . . . . 75.24 109.699 -176.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.42 161.02 20.74 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.795 -0.566 . . . . 73.22 109.594 163.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.0 p -54.96 -61.29 2.4 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.143 0.577 . . . . 64.04 109.84 174.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.6 mm -53.82 -58.7 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 125.544 1.538 . . . . 75.05 110.536 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.1 -46.73 85.03 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 109.894 -0.41 . . . . 63.25 109.894 -170.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.24 -55.2 37.86 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 123.772 0.829 . . . . 73.25 110.295 178.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.88 -49.55 75.16 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.721 1.209 . . . . 55.11 110.341 -175.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -55.22 -56.2 22.67 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 125.837 1.655 . . . . 62.41 110.85 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.2 -41.87 89.57 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.565 0.746 . . . . 71.24 110.692 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.09 -36.72 80.43 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.675 -0.641 . . . . 63.02 110.201 -178.322 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.52 -42.07 95.68 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.431 0.56 . . . . 73.03 110.449 176.005 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 69.4 mt -59.22 -52.93 54.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 N-CA-C 108.213 -1.032 . . . . 73.45 108.213 177.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.405 ' HA ' HD11 ' A' ' 69' ' ' LEU . 49.3 mt -52.82 -22.75 5.77 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 125.143 1.377 . . . . 74.13 114.41 177.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -105.14 14.64 28.83 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.232 0.924 . . . . 73.33 112.389 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -127.01 -33.74 2.41 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.935 1.294 . . . . 60.25 113.83 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.511 ' H ' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -87.75 -166.71 1.66 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.421 2.288 . . . . 73.31 114.533 -170.749 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -67.34 152.99 95.6 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 125.473 1.509 . . . . 75.3 113.072 170.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -66.99 165.64 25.57 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 124.003 3.136 . . . . 63.12 113.432 -176.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -71.36 139.69 35.35 Favored 'Trans proline' 0 N--CA 1.449 -1.091 0 C-N-CA 121.912 1.741 . . . . 72.02 112.947 -176.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.96 123.9 21.88 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 125.655 1.582 . . . . 64.21 108.047 171.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.63 145.85 31.47 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 124.548 1.139 . . . . 61.24 109.8 175.213 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.504 HG12 ' HB3' ' A' ' 23' ' ' ALA . 0.3 OUTLIER -128.28 19.34 2.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 124.797 1.239 . . . . 75.02 109.649 -172.295 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -173.01 31.07 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.554 1.542 . . . . 55.23 110.7 172.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.18 15.67 65.71 Favored Glycine 0 CA--C 1.535 1.325 0 O-C-N 120.613 -1.304 . . . . 73.0 114.752 -173.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.415 ' HE3' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -111.24 105.35 14.0 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 126.305 1.842 . . . . 75.12 109.049 173.705 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 58.5 m -69.91 115.01 8.64 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 118.83 -1.148 . . . . 74.42 109.286 168.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.7 mm -63.68 158.26 3.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 126.135 1.774 . . . . 71.0 110.166 -178.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -110.76 161.05 16.17 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 126.269 1.828 . . . . 75.0 109.403 172.713 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.7 t -122.2 138.44 52.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 106.968 -1.493 . . . . 61.01 106.968 173.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -132.87 163.22 29.59 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 125.506 1.523 . . . . 62.14 109.199 167.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -123.19 110.51 15.34 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.777 -1.194 . . . . 72.31 107.777 -178.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -112.72 71.12 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 107.375 -1.343 . . . . 74.2 107.375 175.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.41 ' HE2' ' OD2' ' A' ' 4' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 107.897 -1.149 . . . . 63.03 107.897 167.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 N--CA 1.448 -0.536 0 CA-C-O 123.487 1.613 . . . . 74.02 109.656 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.492 ' HB ' ' HB3' ' A' ' 85' ' ' ALA . 57.9 m -115.46 150.68 36.08 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 112.724 -2.035 . . . . 71.35 106.31 -175.068 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.0 mt -112.81 133.98 56.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 104.31 -2.478 . . . . 61.21 104.31 166.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.2 mt -107.56 140.73 24.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 105.748 -1.945 . . . . 71.34 105.748 174.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -114.11 154.35 27.92 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.436 -0.95 . . . . 54.21 108.436 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -133.41 178.3 7.02 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.135 0.974 . . . . 72.1 110.3 172.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 40.6 t30 54.48 50.04 17.0 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 125.71 1.604 . . . . 75.14 111.187 175.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.5 mt -86.22 121.7 29.18 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 105.651 -1.981 . . . . 74.41 105.651 169.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -57.11 152.04 31.95 Favored Pre-proline 0 C--O 1.235 0.33 0 N-CA-C 109.158 -0.682 . . . . 73.13 109.158 169.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.37 -37.04 32.4 Favored 'Trans proline' 0 N--CA 1.446 -1.284 0 C-N-CA 121.784 1.656 . . . . 75.4 110.901 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -92.01 13.89 17.41 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.165 0.586 . . . . 73.02 112.024 -177.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.5 m -93.75 165.47 12.68 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 120.55 -1.343 . . . . 74.31 109.117 162.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 p -135.09 -178.12 4.95 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 125.811 1.645 . . . . 73.02 106.865 144.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 ptm -50.52 -34.17 24.31 Favored 'General case' 0 C--O 1.217 -0.616 0 C-N-CA 126.321 1.849 . . . . 53.22 111.11 167.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.05 -28.32 66.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 118.514 0.597 . . . . 70.22 111.685 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 m -111.15 24.17 13.21 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 123.848 0.859 . . . . 73.44 112.126 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 52.7 mt -132.32 -34.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.07 0 C-N-CA 123.968 0.907 . . . . 75.44 109.427 173.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.9 mt -51.81 -46.38 64.26 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 122.916 0.486 . . . . 73.4 109.911 169.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.96 14.96 5.52 Favored Glycine 0 CA--C 1.534 1.226 0 CA-C-O 118.384 -1.231 . . . . 62.2 115.367 -173.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -150.65 -40.49 0.13 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 119.952 1.876 . . . . 51.23 111.202 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.64 21.71 4.54 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.087 1.355 . . . . 75.02 111.375 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.54 53.67 0.71 Allowed Pre-proline 0 CA--C 1.547 0.828 0 CA-C-N 119.541 1.064 . . . . 74.01 112.388 171.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.428 ' HG2' ' CE1' ' A' ' 27' ' ' TYR . 80.5 Cg_endo -76.06 -14.43 18.91 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 122.95 2.434 . . . . 71.01 111.756 169.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.428 ' CE1' ' HG2' ' A' ' 26' ' ' PRO . 0.5 OUTLIER -124.41 -79.6 0.61 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.509 1.524 . . . . 63.04 107.337 -176.591 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.92 106.02 14.4 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 123.637 0.775 . . . . 72.32 109.676 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.1 t -87.0 86.5 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 105.94 -1.874 . . . . 74.42 105.94 169.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.4 mt -66.4 154.22 40.71 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.029 0.532 . . . . 72.24 109.857 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.63 23.45 0.42 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.099 1.36 . . . . 71.25 112.056 -173.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.7 t 55.29 -60.41 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.057 2.143 . . . . 73.22 112.802 -162.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.4 t -54.03 -24.54 17.41 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.287 2.235 . . . . 53.21 113.872 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -52.39 -31.26 33.16 Favored 'General case' 0 C--N 1.341 0.235 0 O-C-N 121.008 -1.057 . . . . 72.35 111.249 169.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.6 t -101.55 143.57 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 C-N-CA 124.973 1.309 . . . . 74.24 110.149 -164.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.66 94.28 3.82 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 126.167 1.787 . . . . 73.31 108.554 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.2 t -95.02 106.37 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 105.258 -2.127 . . . . 65.0 105.258 164.027 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.0 mt -76.69 152.05 5.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 107.355 -1.35 . . . . 75.04 107.355 172.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -129.13 143.98 51.05 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.828 0.851 . . . . 74.12 111.365 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -61.26 150.92 33.23 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.418 -0.355 . . . . 74.41 110.916 175.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -95.68 13.91 24.82 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.773 1.027 . . . . 72.41 113.773 176.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -124.08 -50.56 1.8 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 119.27 0.941 . . . . 73.4 109.149 -177.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.539 HG23 ' H ' ' A' ' 45' ' ' LEU . 15.3 t -92.38 -14.09 29.17 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.805 0.729 . . . . 55.53 110.783 178.257 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 71.74 -12.66 0.63 Allowed 'General case' 0 C--N 1.342 0.273 0 CA-C-O 116.731 -1.604 . . . . 74.41 114.269 -169.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.539 ' H ' HG23 ' A' ' 43' ' ' THR . 41.4 mt -62.64 174.45 1.01 Allowed 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 120.012 1.278 . . . . 74.21 110.642 -177.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -69.63 -165.73 0.09 Allowed 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 125.205 1.402 . . . . 75.13 109.977 170.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -108.12 -12.76 15.06 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.972 1.709 . . . . 62.41 112.389 168.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.93 14.17 58.19 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 123.808 0.718 . . . . 75.03 113.414 176.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -147.82 167.53 24.52 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 126.075 1.75 . . . . 74.12 106.709 169.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -149.3 178.25 8.93 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 123.92 0.888 . . . . 41.44 109.341 174.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -130.01 158.18 40.29 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.001 1.72 . . . . 74.22 107.542 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 58.3 mt -131.57 130.05 62.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 127.228 2.211 . . . . 75.33 105.417 170.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.17 124.93 52.45 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 106.393 -1.706 . . . . 71.02 106.393 172.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.03 -179.82 5.56 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 126.033 1.733 . . . . 74.03 108.616 179.15 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.46 151.05 13.94 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.715 -0.846 . . . . 61.34 108.715 160.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.3 m -44.87 -63.19 0.97 Allowed 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 126.388 1.875 . . . . 72.12 110.271 172.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 45.7 mt -65.48 -48.05 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 N-CA-C 108.864 -0.791 . . . . 74.01 108.864 -174.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -64.18 -42.48 96.67 Favored 'General case' 0 C--N 1.331 -0.197 0 O-C-N 121.825 -0.547 . . . . 71.42 111.688 -166.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.46 -53.22 24.21 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.168 0.987 . . . . 71.22 110.17 178.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.1 -45.78 91.97 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.921 0.889 . . . . 72.41 110.795 -178.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -59.13 -58.33 9.1 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 118.777 0.717 . . . . 73.02 110.627 -177.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.23 -45.07 92.11 Favored 'General case' 0 CA--C 1.518 -0.257 0 O-C-N 123.389 0.431 . . . . 51.41 110.196 -174.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.13 -46.25 65.3 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 119.709 -0.186 . . . . 74.04 111.291 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -62.41 -31.33 71.99 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 119.002 -0.523 . . . . 75.31 112.24 -176.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 68.6 mt -59.21 -59.24 4.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 C-N-CA 125.015 1.326 . . . . 73.34 108.358 179.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -48.87 -43.23 38.71 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.336 1.054 . . . . 64.12 110.745 173.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -78.3 18.26 0.56 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.07 1.348 . . . . 75.32 113.86 -177.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.4 -34.42 1.39 Allowed 'General case' 0 C--O 1.234 0.281 0 C-N-CA 124.094 0.958 . . . . 63.35 112.515 168.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 pp -75.84 -166.77 0.61 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.245 1.018 . . . . 75.02 111.541 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -53.99 165.15 0.82 Allowed Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 124.717 1.207 . . . . 74.02 112.875 173.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -65.6 167.54 16.9 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 122.716 2.277 . . . . 55.25 112.182 171.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -66.04 147.01 83.88 Favored 'Trans proline' 0 N--CA 1.455 -0.752 0 C-N-CA 122.696 2.264 . . . . 74.22 112.333 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.91 125.47 29.4 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 127.473 2.309 . . . . 64.01 109.058 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.7 t -84.65 154.96 22.21 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.494 1.117 . . . . 72.23 109.419 177.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.44 13.98 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 C-N-CA 124.408 1.083 . . . . 62.21 111.621 -173.179 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.7 18.58 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.614 1.566 . . . . 71.41 109.811 177.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.8 30.31 63.93 Favored Glycine 0 C--N 1.344 1.02 0 C-N-CA 124.636 1.113 . . . . 75.34 113.677 -173.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.92 98.33 5.3 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 126.807 2.043 . . . . 75.1 109.117 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 m -69.78 117.87 11.93 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 107.553 -1.277 . . . . 74.4 107.553 175.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 30.1 mm -61.01 153.98 4.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 123.988 0.915 . . . . 74.33 108.766 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.01 159.88 18.68 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.036 0.935 . . . . 62.02 109.067 166.344 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.6 t -133.47 137.42 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 125.431 1.492 . . . . 75.15 108.205 -176.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -125.75 149.98 48.1 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.599 -0.889 . . . . 75.01 108.599 158.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -77.37 150.06 35.15 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 105.907 -1.886 . . . . 75.13 105.907 153.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.492 ' HB3' ' HB ' ' A' ' 5' ' ' THR . . . -133.16 74.57 1.57 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 106.759 -1.571 . . . . 74.44 106.759 170.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.4 tptm . . . . . 0 N--CA 1.443 -0.822 0 CA-C-N 113.645 -1.616 . . . . 75.04 107.301 175.316 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 N--CA 1.448 -0.532 0 CA-C-O 122.638 1.209 . . . . 73.14 110.833 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.8 m -146.13 128.66 16.03 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 125.186 1.395 . . . . 62.3 107.945 172.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 55.3 mt -88.6 124.5 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 104.897 -2.26 . . . . 74.0 104.897 167.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.3 mt -92.37 145.55 7.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 106.942 -1.503 . . . . 64.22 106.942 172.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.0 mt -111.93 156.45 22.06 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 108.546 -0.909 . . . . 73.0 108.546 163.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.433 ' HB2' ' HB2' ' A' ' 81' ' ' ASN . 15.4 mtp180 -144.04 168.92 18.85 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 127.094 2.157 . . . . 63.01 108.634 -175.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.6 t30 59.24 30.95 20.79 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.806 1.242 . . . . 54.55 111.652 -176.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.49 HD23 ' HA ' ' A' ' 49' ' ' PHE . 0.8 OUTLIER -69.75 119.52 14.1 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 105.613 -1.995 . . . . 74.33 105.613 167.691 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -68.51 154.22 94.7 Favored Pre-proline 0 C--O 1.234 0.244 0 N-CA-C 106.994 -1.484 . . . . 62.14 106.994 170.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -74.71 -14.93 21.77 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 122.627 2.218 . . . . 74.25 112.953 -172.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -78.26 -22.14 48.78 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.208 0.603 . . . . 73.32 111.766 -176.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.5 m -82.59 168.81 16.97 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.941 -0.763 . . . . 72.21 108.941 165.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.491 HG23 ' H ' ' A' ' 17' ' ' MET . 7.2 t -125.64 -74.17 0.61 Allowed 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 106.128 -1.804 . . . . 64.32 106.128 173.073 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.491 ' H ' HG23 ' A' ' 16' ' ' THR . 9.8 ptt? -153.8 -48.0 0.09 Allowed 'General case' 0 CA--C 1.512 -0.518 0 C-N-CA 124.098 0.959 . . . . 74.32 109.323 178.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.97 -28.41 68.98 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.827 0.851 . . . . 54.31 112.292 -177.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 m -59.68 -35.5 74.59 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.55 1.14 . . . . 63.34 111.326 174.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.2 mp -93.4 -35.44 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.03 1.332 . . . . 73.31 108.718 -176.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.426 HD21 HG21 ' A' ' 35' ' ' VAL . 61.1 mt -59.44 -36.84 76.68 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-O 118.523 -0.751 . . . . 71.15 111.039 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.57 14.94 64.16 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-O 117.481 -1.733 . . . . 72.42 113.927 -178.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.16 -34.2 0.43 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.44 1.62 . . . . 74.12 113.758 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 tp -93.95 14.74 18.71 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.221 1.408 . . . . 72.24 111.254 -176.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.71 53.47 0.93 Allowed Pre-proline 0 CA--C 1.544 0.728 0 N-CA-C 114.752 1.39 . . . . 73.52 114.752 -170.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -70.41 -24.49 26.65 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 121.908 1.738 . . . . 65.03 112.909 169.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -124.9 -24.48 4.08 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 120.262 1.392 . . . . 70.44 113.784 -174.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.83 108.28 5.56 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 108.24 -1.022 . . . . 65.24 108.24 170.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.1 t -80.05 120.84 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 N-CA-C 106.283 -1.747 . . . . 64.31 106.283 160.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -97.2 -178.73 4.28 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.07 0.948 . . . . 65.42 111.03 169.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.0 m -110.47 160.35 16.68 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.39 1.476 . . . . 70.53 109.624 163.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.1 p -62.94 -24.66 67.97 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 121.179 -0.95 . . . . 73.43 111.614 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.5 p -56.02 -46.1 78.92 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.829 0.851 . . . . 71.53 110.964 170.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -83.89 -26.26 29.55 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 125.031 1.333 . . . . 65.34 109.768 -170.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.426 HG21 HD21 ' A' ' 21' ' ' LEU . 45.4 t -91.47 87.89 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 C-N-CA 124.6 1.16 . . . . 63.21 109.532 172.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.72 115.39 4.72 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.007 -0.997 . . . . 50.42 108.32 169.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.472 HG21 ' HB3' ' A' ' 17' ' ' MET . 46.6 t -117.04 131.66 69.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 125.196 1.398 . . . . 64.11 108.679 162.666 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.0 mt -87.9 130.24 37.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 105.429 -2.063 . . . . 44.34 105.429 163.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.42 147.46 35.19 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 108.45 -0.944 . . . . 72.34 108.45 168.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -65.74 161.06 21.58 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.465 1.106 . . . . 73.13 110.576 171.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.9 ttmt -115.02 14.68 17.19 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 120.422 -1.423 . . . . 72.42 113.025 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -130.35 -42.29 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 126.359 1.864 . . . . 63.0 110.198 -172.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.587 HG23 ' H ' ' A' ' 45' ' ' LEU . 14.5 t -102.39 -14.4 16.91 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.489 1.115 . . . . 71.34 109.288 173.705 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 73.11 -13.73 0.67 Allowed 'General case' 0 C--O 1.234 0.271 0 C-N-CA 127.187 2.195 . . . . 73.55 114.178 -170.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.587 ' H ' HG23 ' A' ' 43' ' ' THR . 30.8 mt -60.36 178.07 0.23 Allowed 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.181 1.355 . . . . 74.52 113.276 -170.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -95.0 164.73 12.77 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 120.349 -1.469 . . . . 73.43 109.192 169.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -78.55 -14.04 59.54 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.04 1.126 . . . . 74.11 114.04 -173.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.77 14.14 25.9 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 125.969 1.747 . . . . 73.03 113.832 -178.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.49 ' HA ' HD23 ' A' ' 11' ' ' LEU . 28.5 p90 -151.74 172.79 15.57 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 121.091 -1.24 . . . . 73.31 109.215 178.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -153.11 168.67 25.15 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.333 1.453 . . . . 73.02 108.693 170.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -131.2 120.24 22.99 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 124.846 1.259 . . . . 71.4 107.96 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.0 mt -91.97 118.11 36.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 126.853 2.061 . . . . 62.12 107.085 174.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -95.31 129.79 42.32 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.466 1.507 . . . . 65.32 107.195 173.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.9 mt -135.89 -154.86 0.59 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.025 1.73 . . . . 63.24 108.213 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 t -98.08 163.85 12.58 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.082 1.353 . . . . 71.3 108.544 173.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 58.3 p -61.74 -14.94 36.74 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.264 1.826 . . . . 74.24 115.22 -172.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.3 mt -118.02 -43.67 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 125.713 1.605 . . . . 74.43 108.5 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -56.62 -47.64 79.22 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 124.391 1.076 . . . . 74.21 110.09 -175.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.72 -53.05 43.66 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.463 0.574 . . . . 71.13 110.668 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.34 -51.44 68.81 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.109 0.963 . . . . 71.22 111.112 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -61.51 -49.83 75.17 Favored 'General case' 0 C--O 1.231 0.106 0 O-C-N 121.563 -0.711 . . . . 74.04 111.056 -175.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -44.47 96.21 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.49 1.116 . . . . 73.12 109.814 -177.519 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.9 tp -52.73 -46.52 67.46 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 109.989 -0.374 . . . . 73.21 109.989 178.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -62.62 -27.87 69.51 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 113.578 0.955 . . . . 61.4 113.578 -176.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 63.9 mt -61.51 -62.15 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 107.486 -1.301 . . . . 54.21 107.486 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -57.24 -30.34 64.54 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 118.759 0.709 . . . . 65.33 112.696 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -75.9 -25.99 56.58 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 121.682 -0.637 . . . . 72.14 112.397 176.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.19 -29.58 28.44 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 112.618 0.599 . . . . 73.03 112.618 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 pp -93.13 -163.43 1.05 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.039 1.336 . . . . 62.41 110.95 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -57.51 159.11 9.67 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 123.787 0.835 . . . . 73.22 111.586 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -63.34 167.49 12.82 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.414 2.743 . . . . 70.03 112.556 176.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -62.9 158.49 42.7 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.573 2.848 . . . . 73.42 111.966 -178.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.09 179.95 4.71 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 123.103 1.43 . . . . 74.44 111.707 175.338 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.58 152.72 50.56 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 126.833 2.053 . . . . 70.23 106.44 171.316 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -133.05 14.52 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 124.754 1.222 . . . . 44.22 110.327 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -173.94 28.0 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.918 0 O-C-N 120.927 -1.108 . . . . 65.34 111.16 -175.507 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.43 21.21 77.44 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-O 118.016 -1.435 . . . . 44.41 114.051 -173.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.493 ' HD3' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -116.86 109.86 17.62 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 120.468 2.134 . . . . 64.22 108.619 174.544 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 m -66.91 115.03 6.21 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 121.044 1.747 . . . . 72.04 107.53 170.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.3 mm -56.07 142.78 10.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 108.392 -0.966 . . . . 74.35 108.392 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.433 ' HB2' ' HB2' ' A' ' 9' ' ' ARG . 8.7 m-20 -96.17 152.28 18.7 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 106.47 -1.678 . . . . 43.14 106.47 166.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.9 t -123.65 144.2 34.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 106.661 -1.607 . . . . 71.34 106.661 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -141.57 167.65 21.66 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 125.613 1.565 . . . . 64.22 108.996 173.055 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -126.85 95.34 4.29 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 124.734 1.214 . . . . 72.03 110.071 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.88 79.5 6.4 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 122.481 1.134 . . . . 42.14 108.437 169.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.5 tptm . . . . . 0 N--CA 1.445 -0.681 0 C-N-CA 124.594 1.158 . . . . 74.22 108.445 172.531 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 N--CA 1.448 -0.551 0 CA-C-O 123.481 1.61 . . . . 63.0 112.279 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.1 m -144.72 143.07 30.52 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 106.201 -1.778 . . . . 74.14 106.201 170.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.4 mt -115.24 121.19 66.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 N-CA-C 103.787 -2.672 . . . . 61.03 103.787 174.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.498 ' HB ' ' HG3' ' A' ' 83' ' ' GLU . 26.2 mt -98.32 147.11 7.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 N-CA-C 105.642 -1.984 . . . . 63.35 105.642 177.41 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.403 ' HB3' HD21 ' A' ' 11' ' ' LEU . 10.9 mp -112.77 150.31 31.78 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 125.061 1.344 . . . . 60.42 107.379 173.009 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -134.14 170.28 15.91 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.377 1.071 . . . . 75.24 109.161 -177.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.7 t30 67.3 17.22 10.21 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 126.287 1.835 . . . . 70.14 112.17 178.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.572 HD23 ' HA ' ' A' ' 49' ' ' PHE . 0.6 OUTLIER -64.45 133.4 52.42 Favored 'General case' 0 N--CA 1.446 -0.652 0 O-C-N 119.727 -1.858 . . . . 74.43 106.95 171.707 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -69.16 157.37 89.47 Favored Pre-proline 0 N--CA 1.443 -0.816 0 C-N-CA 124.567 1.147 . . . . 75.11 109.235 169.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -59.78 -35.37 94.53 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.87 2.38 . . . . 75.11 111.239 176.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -77.03 -14.11 59.87 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.535 1.134 . . . . 65.31 113.346 -178.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.93 158.31 4.97 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 119.923 1.238 . . . . 74.22 109.698 -178.129 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.0 t -144.55 154.76 43.2 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 106.777 -1.564 . . . . 71.41 106.777 167.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.4 ptp -65.71 -29.23 69.74 Favored 'General case' 0 C--O 1.211 -0.933 0 C-N-CA 124.162 0.985 . . . . 73.55 109.451 -172.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -70.48 -33.2 70.97 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.583 0.706 . . . . 74.24 109.99 -178.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.8 t -78.78 -47.97 15.71 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.225 1.41 . . . . 43.32 108.66 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mt -55.15 -45.85 77.4 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 N-CA-C 109.166 -0.679 . . . . 62.13 109.166 171.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.2 mt -61.45 -20.35 63.03 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.189 0.904 . . . . 74.52 112.888 177.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.57 -15.07 57.5 Favored Glycine 0 CA--C 1.527 0.798 0 CA-C-N 119.195 0.907 . . . . 73.43 113.968 -178.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -142.6 12.98 1.93 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 119.143 1.471 . . . . 71.11 113.716 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.4 tp -129.11 29.26 5.19 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.763 1.225 . . . . 74.41 109.187 170.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.509 ' HB1' HG22 ' A' ' 29' ' ' VAL . . . -114.95 52.66 0.71 Allowed Pre-proline 0 CA--C 1.557 1.226 0 C-N-CA 124.421 1.088 . . . . 43.15 113.035 176.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.444 ' HG2' ' CE2' ' A' ' 27' ' ' TYR . 53.1 Cg_endo -77.7 -21.51 11.21 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.953 2.435 . . . . 74.25 114.563 173.427 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.444 ' CE2' ' HG2' ' A' ' 26' ' ' PRO . 1.7 m-85 -134.59 -58.12 0.83 Allowed 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.928 1.24 . . . . 74.03 109.685 -174.568 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.86 149.96 27.62 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.011 0.924 . . . . 60.04 109.453 176.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.509 HG22 ' HB1' ' A' ' 25' ' ' ALA . 3.2 t -144.2 101.68 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 106.461 -1.681 . . . . 75.25 106.461 -173.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -72.74 163.4 28.16 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 112.429 0.529 . . . . 71.23 112.429 -172.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.9 m -90.18 33.0 0.89 Allowed 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.363 1.465 . . . . 72.54 112.511 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.61 -61.95 0.39 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.851 1.66 . . . . 71.13 112.215 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 t -56.6 -34.71 67.48 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.628 1.558 . . . . 73.22 112.037 -177.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -52.92 -24.56 9.52 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.337 1.055 . . . . 71.44 112.908 177.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.6 t -98.9 133.54 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-O 122.035 0.921 . . . . 75.53 109.138 -173.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.09 86.89 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 126.577 1.951 . . . . 61.52 107.386 173.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.1 t -85.28 102.4 11.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 N-CA-C 104.852 -2.277 . . . . 73.22 104.852 161.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.4 mt -75.39 131.02 35.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 105.85 -1.907 . . . . 74.12 105.85 169.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -119.67 160.41 22.57 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.092 1.357 . . . . 75.45 110.457 169.788 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -79.02 158.53 27.89 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 112.039 0.385 . . . . 71.35 112.039 -169.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -30.53 65.41 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 114.764 1.394 . . . . 75.34 114.764 176.009 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -102.01 -52.72 3.1 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 108.489 -0.93 . . . . 71.43 108.489 -176.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.9 p -78.97 -17.97 54.51 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 120.618 -0.433 . . . . 61.42 111.1 -168.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 57.32 14.77 2.29 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.298 1.839 . . . . 75.42 112.579 -167.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.9 mt -96.67 150.05 21.11 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 123.467 0.707 . . . . 64.45 109.115 -177.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 5.7 m-20 -62.19 163.28 8.41 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 123.148 0.579 . . . . 62.33 110.923 -177.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -84.73 14.51 4.64 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.017 -1.052 . . . . 62.35 112.59 171.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.36 12.74 64.03 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 126.277 1.894 . . . . 55.14 115.956 173.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.572 ' HA ' HD23 ' A' ' 11' ' ' LEU . 8.0 p90 -141.84 163.0 34.08 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 126.117 1.767 . . . . 61.22 107.363 163.604 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -145.06 165.81 27.16 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.069 -1.086 . . . . 60.34 108.069 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -132.14 129.68 40.16 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.714 -1.587 . . . . 74.42 106.714 -170.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.3 mt -97.72 131.41 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 106.038 -1.838 . . . . 71.34 106.038 171.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -108.68 99.86 9.17 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 105.033 -2.21 . . . . 74.51 105.033 174.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.6 mt -120.07 171.66 8.3 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 124.313 1.045 . . . . 75.43 108.566 173.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 m -72.07 166.67 21.81 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 127.076 2.151 . . . . 63.03 111.727 -172.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.3 m -61.95 -32.98 73.45 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.968 0.907 . . . . 51.43 111.659 -174.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 58.9 mt -82.09 -53.94 10.82 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.156 0 O-C-N 121.532 -0.73 . . . . 75.34 109.127 170.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -65.18 -45.3 85.4 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 122.591 0.357 . . . . 71.13 111.288 -160.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.5 -48.7 79.88 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.385 -0.598 . . . . 75.44 109.385 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.72 -53.39 58.32 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.673 0.789 . . . . 73.42 111.139 179.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -58.98 -58.68 7.6 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 123.577 0.751 . . . . 51.3 109.899 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -52.01 -53.39 42.33 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.995 0.918 . . . . 71.23 109.15 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -51.81 -51.34 57.21 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 118.429 0.559 . . . . 75.24 110.176 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -61.09 -37.24 82.02 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 120.135 -0.626 . . . . 72.43 109.703 -171.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 57.6 mt -55.4 -53.68 33.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.76 1.224 . . . . 65.03 109.62 173.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -58.42 -26.95 63.84 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.653 1.115 . . . . 71.41 112.728 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -85.46 13.1 7.18 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.099 0.96 . . . . 61.13 112.612 -175.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -141.65 14.5 2.14 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.339 0.656 . . . . 71.01 112.246 -174.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 pp -142.99 -178.6 5.91 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.659 1.184 . . . . 65.01 112.274 -167.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -64.21 145.28 98.21 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 126.289 1.836 . . . . 71.31 112.877 -175.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -67.67 162.94 37.1 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 122.88 2.387 . . . . 61.04 113.443 -167.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -68.16 151.66 76.85 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.718 2.278 . . . . 72.53 112.027 -173.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -87.95 134.48 33.71 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.672 1.989 . . . . 70.11 107.239 175.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.8 t -83.9 161.33 20.89 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.069 -1.019 . . . . 65.14 110.856 -176.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -132.49 13.56 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 123.851 0.86 . . . . 73.31 110.949 -179.02 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -171.68 41.07 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 107.443 -1.317 . . . . 72.23 107.443 171.521 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.66 -13.72 1.6 Allowed Glycine 0 CA--C 1.534 1.272 0 O-C-N 120.269 -1.519 . . . . 71.45 115.058 -177.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.54 108.35 17.26 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 119.841 1.821 . . . . 72.54 111.28 178.507 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.93 128.64 37.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 121.009 1.732 . . . . 45.03 109.845 177.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.4 mm -66.83 165.2 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 124.119 0.968 . . . . 74.11 109.387 -177.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -130.06 158.18 40.32 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 126.078 1.751 . . . . 65.13 108.251 170.042 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.2 t -124.36 151.97 29.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 125.787 1.635 . . . . 54.32 108.026 -175.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.498 ' HG3' ' HB ' ' A' ' 7' ' ' ILE . 1.5 pt-20 -151.68 175.35 12.47 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.573 1.949 . . . . 74.04 110.571 168.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -134.21 89.05 2.52 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 125.847 1.659 . . . . 63.23 107.114 -173.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.61 64.32 8.45 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 107.471 -1.307 . . . . 62.23 107.471 174.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.209 0 N-CA-C 106.484 -1.673 . . . . 75.01 106.484 177.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.509 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.452 0 N-CA-C 107.792 -1.188 . . . . 62.21 107.792 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.4 m -133.03 140.63 47.83 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 125.791 1.637 . . . . 63.21 107.15 172.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 55.5 mt -104.96 136.94 36.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 N-CA-C 105.237 -2.134 . . . . 75.23 105.237 163.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.6 mp -110.63 157.53 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 106.855 -1.535 . . . . 73.32 106.855 168.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.475 HD23 HG21 ' A' ' 80' ' ' ILE . 5.1 mp -126.84 153.01 46.22 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.01 1.324 . . . . 73.53 107.512 176.004 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -132.3 163.96 27.5 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.375 -0.602 . . . . 62.12 109.375 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 62.6 t30 67.1 42.33 2.38 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.262 1.425 . . . . 72.31 111.911 177.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.75 112.04 18.55 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 106.978 -1.489 . . . . 64.12 106.978 174.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.447 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 1.6 m-20 -53.17 153.41 6.67 Favored Pre-proline 0 N--CA 1.471 0.586 0 N-CA-C 108.998 -0.741 . . . . 75.35 108.998 174.632 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -58.08 -38.12 92.94 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.843 2.362 . . . . 73.41 110.929 175.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -62.0 -13.7 28.23 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.845 2.058 . . . . 74.15 115.51 175.418 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.0 m -84.14 166.33 17.71 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 120.205 1.366 . . . . 60.34 110.326 176.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.512 HG23 ' H ' ' A' ' 17' ' ' MET . 10.2 t -147.29 -74.69 0.2 Allowed 'General case' 0 C--O 1.233 0.19 0 O-C-N 121.507 -0.746 . . . . 73.52 109.101 173.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.512 ' H ' HG23 ' A' ' 16' ' ' THR . 53.4 ttp -160.67 -57.22 0.05 Allowed 'General case' 0 CA--C 1.508 -0.666 0 C-N-CA 126.181 1.793 . . . . 72.33 108.596 178.363 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -56.59 -35.92 68.79 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.541 -0.754 . . . . 42.44 110.398 -176.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.3 m -83.18 23.19 0.9 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 123.229 1.49 . . . . 65.53 114.801 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 54.9 mt -135.11 -47.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 C-N-CA 128.336 2.654 . . . . 70.25 106.967 177.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.5 mt -65.72 -15.64 63.01 Favored 'General case' 0 C--O 1.226 -0.163 0 N-CA-C 114.628 1.344 . . . . 71.35 114.628 -174.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -88.08 -13.94 63.34 Favored Glycine 0 CA--C 1.531 1.034 0 CA-C-O 119.0 -0.889 . . . . 63.44 113.68 171.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.44 ' HB3' HG12 ' A' ' 75' ' ' ILE . . . -134.47 -16.17 2.1 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 114.732 1.382 . . . . 61.11 114.732 -161.278 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.5 tp -113.21 22.47 14.26 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.566 1.946 . . . . 74.51 109.33 174.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -123.61 55.18 8.24 Favored Pre-proline 0 CA--C 1.543 0.675 0 C-N-CA 125.764 1.626 . . . . 71.14 111.99 -174.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -69.15 -48.54 0.82 Allowed 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 121.997 1.798 . . . . 64.33 110.825 170.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -104.43 -24.23 13.08 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.963 1.705 . . . . 61.42 113.607 -177.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -137.3 102.07 4.7 Favored 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 123.295 0.638 . . . . 45.13 110.635 -178.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.1 t -69.9 129.12 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 N-CA-C 105.582 -2.007 . . . . 64.53 105.582 151.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.7 mt -98.4 161.31 13.75 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.672 -1.233 . . . . 74.24 107.672 165.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.3 m -72.01 -69.38 0.4 Allowed 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 108.547 -0.908 . . . . 60.44 108.547 -172.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.4 m 174.92 -46.59 0.01 OUTLIER 'General case' 0 C--O 1.227 -0.103 0 C-N-CA 130.042 3.337 . . . . 62.35 107.187 168.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.5 p -61.64 -24.24 66.59 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.886 0.767 . . . . 75.32 112.449 -177.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -53.02 -34.29 55.69 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 125.486 1.514 . . . . 71.51 112.321 171.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.4 t -97.4 109.47 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 123.68 0.792 . . . . 72.51 108.946 -166.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.57 123.65 38.13 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 107.934 -1.136 . . . . 73.15 107.934 170.067 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.416 HG22 ' HB1' ' A' ' 50' ' ' ALA . 10.6 t -128.43 111.42 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 106.447 -1.686 . . . . 72.13 106.447 169.629 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.3 mt -64.41 116.1 3.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 106.264 -1.754 . . . . 73.23 106.264 174.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.82 147.64 26.63 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.9 -1.148 . . . . 71.53 107.9 170.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.65 164.75 9.2 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.605 0.595 . . . . 74.25 112.605 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -79.68 -52.29 8.14 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 121.4 -0.813 . . . . 64.44 110.828 170.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.81 -50.43 7.14 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 109.252 -0.647 . . . . 73.55 109.252 -175.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.7 p -81.46 -16.7 51.18 Favored 'General case' 0 C--N 1.334 -0.079 0 C-N-CA 119.444 -0.902 . . . . 61.53 110.995 -166.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 66.04 14.63 9.71 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 127.307 2.243 . . . . 62.35 113.375 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.9 mt -111.65 158.27 19.46 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 120.083 1.31 . . . . 64.13 111.439 -172.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -60.67 156.9 15.7 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.585 0.754 . . . . 71.52 109.675 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -82.3 16.04 2.19 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.977 0.732 . . . . 63.33 112.977 173.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.93 13.08 82.84 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 125.445 1.498 . . . . 55.13 114.799 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -147.55 162.27 39.42 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 125.438 1.495 . . . . 72.11 108.551 171.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.416 ' HB1' HG22 ' A' ' 37' ' ' VAL . . . -148.92 171.3 16.55 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 126.059 1.744 . . . . 74.43 109.176 -175.583 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -141.59 153.98 45.14 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.317 1.447 . . . . 74.25 108.809 -172.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.9 mt -130.52 130.39 64.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 C-N-CA 127.716 2.407 . . . . 75.31 108.566 175.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -109.76 121.63 45.66 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 126.373 1.869 . . . . 72.25 107.37 177.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.725 ' HB2' ' HB2' ' A' ' 59' ' ' ALA . 22.1 mt -137.81 179.39 6.46 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 126.548 1.939 . . . . 71.35 108.994 -177.292 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.5 t -65.87 165.88 12.2 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.716 0.807 . . . . 61.33 110.435 170.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 59.9 m -54.35 -24.62 20.16 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 131.458 3.903 . . . . 64.32 116.167 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.4 mm -119.33 -31.52 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 124.424 1.09 . . . . 75.03 109.911 -173.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -66.53 -49.9 64.96 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 125.026 1.331 . . . . 52.25 110.686 -174.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.725 ' HB2' ' HB2' ' A' ' 54' ' ' LEU . . . -59.32 -45.75 90.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.575 -0.726 . . . . 75.54 109.242 -179.034 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.78 -64.86 0.73 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.784 0.834 . . . . 74.02 110.484 174.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -51.34 -53.45 36.0 Favored 'General case' 0 N--CA 1.461 0.1 0 CA-C-N 118.76 0.709 . . . . 72.44 111.01 -175.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.62 -41.57 83.75 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.997 0.362 . . . . 72.44 110.914 -175.057 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -53.74 -48.12 69.97 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 121.489 -0.757 . . . . 75.22 109.372 174.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -59.89 -38.54 82.55 Favored 'General case' 0 N--CA 1.445 -0.689 0 O-C-N 123.95 0.781 . . . . 64.02 108.98 -170.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . 0.28 73.6 mt -47.63 -67.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.127 0 C-N-CA 126.291 1.836 . . . . 74.13 110.383 173.598 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -58.88 -20.63 53.09 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.761 1.164 . . . . 74.03 113.654 -177.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -95.12 -14.73 23.92 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.311 -0.868 . . . . 61.15 112.085 -178.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -115.8 14.55 16.32 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.848 1.259 . . . . 72.15 111.631 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.2 pp -135.24 138.66 43.77 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 107.926 -1.138 . . . . 63.41 107.926 164.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . 0.27 0.6 OUTLIER 49.75 166.93 0.03 OUTLIER Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 127.494 2.317 . . . . 70.45 116.499 160.361 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -73.01 155.32 52.83 Favored 'Trans proline' 0 N--CA 1.448 -1.174 0 O-C-N 118.718 -1.254 . . . . 71.24 109.442 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -61.51 149.31 90.24 Favored 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 122.367 2.045 . . . . 71.05 111.457 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.79 HD13 ' H ' ' A' ' 74' ' ' THR . 0.4 OUTLIER -94.36 174.46 7.12 Favored 'General case' 0 C--O 1.238 0.5 0 C-N-CA 125.197 1.399 . . . . 72.33 108.032 -171.509 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.79 ' H ' HD13 ' A' ' 73' ' ' LEU . 8.2 t -148.13 156.66 42.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.162 -0.961 . . . . 71.22 109.24 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.44 HG12 ' HB3' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -131.79 14.49 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 124.025 0.93 . . . . 73.45 110.128 177.183 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -166.82 31.21 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.332 -0.855 . . . . 74.45 111.848 177.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.56 13.49 31.11 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 126.028 1.775 . . . . 64.15 114.935 -170.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.447 ' HE3' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -101.37 107.04 18.27 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 125.398 1.479 . . . . 71.23 108.724 168.828 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.4 112.69 4.17 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 108.293 -1.003 . . . . 72.13 108.293 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.475 HG21 HD23 ' A' ' 8' ' ' LEU . 28.0 mm -76.5 121.85 29.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 N-CA-C 107.413 -1.329 . . . . 72.54 107.413 -173.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -76.81 157.96 31.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.313 -0.858 . . . . 74.12 108.844 172.614 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.6 t -140.49 134.34 34.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 106.841 -1.54 . . . . 60.05 106.841 -175.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -132.71 167.0 20.9 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 127.237 2.215 . . . . 72.13 109.446 -173.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -136.67 80.72 1.83 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.982 0.913 . . . . 61.01 109.59 -168.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.36 86.11 7.4 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 122.713 1.244 . . . . 55.34 108.607 174.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.7 tptm . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 107.929 -1.138 . . . . 53.15 107.929 168.594 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 107.757 -1.201 . . . . 71.31 107.757 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 51.6 m -126.95 124.14 38.78 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.998 1.319 . . . . 63.32 108.27 -170.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.2 mt -95.42 122.79 47.21 Favored 'Isoleucine or valine' 0 C--N 1.34 0.154 0 N-CA-C 106.922 -1.51 . . . . 74.32 106.922 175.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.7 mp -99.43 140.49 18.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 107.931 -1.137 . . . . 72.55 107.931 173.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.9 mt -103.98 160.29 14.94 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 124.456 1.102 . . . . 74.52 109.056 171.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.457 ' HB2' ' HB2' ' A' ' 81' ' ' ASN . 13.3 mtp180 -140.74 175.4 9.64 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.049 1.74 . . . . 73.52 108.409 -176.162 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.3 t30 49.62 42.0 22.48 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 122.881 1.324 . . . . 74.3 111.181 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.573 HD23 HD12 ' A' ' 80' ' ' ILE . 40.7 mt -84.19 121.84 28.03 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 104.564 -2.384 . . . . 71.34 104.564 170.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.659 ' H ' ' HE2' ' A' ' 78' ' ' LYS . 1.3 m-20 -69.98 152.45 95.89 Favored Pre-proline 0 CA--C 1.519 -0.235 0 N-CA-C 108.194 -1.039 . . . . 54.21 108.194 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.508 ' HB2' HD22 ' A' ' 45' ' ' LEU . 57.5 Cg_endo -63.1 -32.12 75.26 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 123.383 2.722 . . . . 75.5 111.644 178.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 -69.63 -12.96 62.06 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.454 1.902 . . . . 65.51 113.675 174.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.2 m -80.75 153.88 27.54 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 122.584 1.183 . . . . 32.21 110.919 170.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.8 t -121.34 168.63 11.44 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 128.851 2.86 . . . . 53.21 104.634 166.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.0 ttp -46.1 -52.9 11.26 Favored 'General case' 0 C--O 1.211 -0.934 0 C-N-CA 125.608 1.563 . . . . 72.31 107.508 169.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -64.3 -16.06 61.42 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.43 1.27 . . . . 74.3 114.43 -172.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.95 -56.29 4.8 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.717 0.77 . . . . 63.34 109.4 168.499 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.2 mt -72.08 -52.7 23.15 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.216 0 N-CA-C 108.471 -0.937 . . . . 73.22 108.471 -170.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.6 tp -62.28 -20.87 64.73 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 124.026 0.93 . . . . 62.01 112.704 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -99.01 14.02 61.68 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 117.685 -1.62 . . . . 63.23 114.641 176.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -149.28 -34.98 0.18 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 120.133 1.966 . . . . 63.01 113.09 178.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.8 tp -78.24 18.25 0.55 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.998 1.319 . . . . 61.23 110.691 176.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.87 57.06 1.7 Allowed Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 125.436 1.494 . . . . 51.11 112.215 -178.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.92 -34.67 6.31 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 121.779 1.652 . . . . 71.14 112.356 170.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -124.92 -23.83 4.2 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.829 0.851 . . . . 73.04 112.769 -172.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.5 ' CB ' HD21 ' A' ' 62' ' ' LEU . . . -133.29 110.86 10.37 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.551 0.74 . . . . 74.42 109.933 168.151 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.0 t -83.72 122.77 38.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 N-CA-C 106.052 -1.833 . . . . 73.03 106.052 158.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -95.42 166.05 12.06 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.3 1.04 . . . . 75.32 109.481 165.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.4 t -81.96 161.61 22.99 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.697 0.761 . . . . 72.44 110.525 163.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -56.19 -41.09 75.01 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.527 1.531 . . . . 72.13 111.815 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 t -62.94 -34.51 77.63 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.046 -1.034 . . . . 62.41 110.815 -176.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -72.52 -14.63 61.69 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.957 1.703 . . . . 75.01 111.016 -178.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.9 t -122.63 88.66 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.308 0 C-N-CA 125.277 1.431 . . . . 75.1 110.33 -171.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.07 100.71 5.79 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 121.204 -0.935 . . . . 74.02 109.565 -178.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.8 t -91.65 108.39 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 125.134 1.374 . . . . 54.34 107.939 169.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.5 mt -69.53 141.16 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 108.028 -1.101 . . . . 63.51 108.028 170.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.38 142.23 51.19 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 124.181 0.992 . . . . 73.51 109.656 167.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.49 164.91 24.33 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 118.657 0.662 . . . . 75.14 111.621 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -83.56 -59.88 2.3 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.195 -0.669 . . . . 71.3 109.195 177.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.86 -53.47 53.63 Favored 'General case' 0 C--O 1.233 0.184 0 O-C-N 123.711 0.632 . . . . 75.12 109.298 -168.45 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.3 p -78.5 -22.13 47.88 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.711 0.404 . . . . 71.24 110.765 -174.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 66.14 -13.3 0.16 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.709 1.604 . . . . 73.43 113.458 -169.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.508 HD22 ' HB2' ' A' ' 13' ' ' PRO . 51.7 mt -65.11 -167.53 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 129.508 3.123 . . . . 72.43 111.107 176.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -105.22 168.82 8.82 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.822 1.249 . . . . 61.2 112.33 175.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.7 -13.65 41.94 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.766 1.626 . . . . 64.4 112.096 177.229 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.17 13.33 56.3 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 124.387 0.994 . . . . 63.22 114.251 169.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -142.41 161.07 39.0 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 125.505 1.522 . . . . 71.31 107.727 170.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -158.71 165.31 34.66 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 124.317 1.047 . . . . 52.43 109.333 -177.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -125.39 111.03 14.66 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 124.763 1.225 . . . . 72.21 109.829 -160.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.9 mt -87.28 128.8 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 125.813 1.645 . . . . 74.4 107.727 169.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -120.25 142.8 48.72 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.959 1.303 . . . . 73.21 109.019 170.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.0 mt -147.17 179.61 7.51 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.012 1.725 . . . . 74.35 109.073 -177.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.47 160.51 8.75 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 109.067 -0.716 . . . . 72.23 109.067 162.51 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 p -61.03 -60.88 3.08 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.131 0.572 . . . . 55.43 110.166 -172.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.0 mt -62.38 -42.86 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-O 118.036 -0.983 . . . . 71.04 110.823 178.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -49.55 -57.23 7.49 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 123.84 0.856 . . . . 74.34 109.745 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.92 -53.66 55.7 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.015 1.326 . . . . 72.32 110.237 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.59 -49.73 76.64 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 125.09 1.356 . . . . 72.13 110.986 -172.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -60.5 -53.05 62.26 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 118.671 -0.681 . . . . 72.35 109.855 175.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.5 HD21 ' CB ' ' A' ' 28' ' ' ALA . 38.5 tp -53.34 -44.77 68.75 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 123.62 0.768 . . . . 73.32 111.193 -173.11 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.0 tp -51.67 -52.13 50.45 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 118.392 0.542 . . . . 62.0 111.055 174.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -66.16 -26.1 67.26 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 122.926 0.49 . . . . 72.41 111.538 -174.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.03 -60.17 3.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 107.787 -1.19 . . . . 65.14 107.787 171.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.09 -19.68 63.22 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.16 1.384 . . . . 64.12 113.243 -179.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -91.51 12.83 19.51 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 120.314 1.415 . . . . 74.13 112.653 176.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.85 -45.55 1.59 Allowed 'General case' 0 C--O 1.234 0.286 0 O-C-N 121.427 -0.796 . . . . 52.44 111.579 -174.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 pp -72.38 -171.03 0.72 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.263 1.425 . . . . 65.03 111.328 172.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -53.05 165.29 0.61 Allowed Pre-proline 0 CA--C 1.546 0.806 0 C-N-CA 128.492 2.717 . . . . 63.41 115.457 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -67.28 164.29 31.07 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.612 2.208 . . . . 42.31 112.184 178.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -67.77 153.12 76.62 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 122.763 2.308 . . . . 71.1 112.887 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -82.8 126.99 33.04 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 128.003 2.521 . . . . 50.11 108.294 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.98 146.67 23.67 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.587 1.155 . . . . 74.31 108.186 -177.751 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.16 13.68 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 122.884 0.473 . . . . 71.32 111.516 -174.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.444 ' CB ' ' HE3' ' A' ' 78' ' ' LYS . 0.4 OUTLIER -169.32 33.82 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.621 1.168 . . . . 72.52 109.313 176.499 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.59 24.19 67.66 Favored Glycine 0 CA--C 1.533 1.174 0 O-C-N 120.525 -1.359 . . . . 74.1 113.918 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.659 ' HE2' ' H ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -120.64 113.39 20.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 127.668 2.387 . . . . 72.2 108.296 175.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.53 123.44 25.47 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 119.0 -1.08 . . . . 72.52 108.869 176.183 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.573 HD12 HD23 ' A' ' 11' ' ' LEU . 14.3 mm -64.58 164.51 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 124.538 1.135 . . . . 71.14 108.672 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.457 ' HB2' ' HB2' ' A' ' 9' ' ' ARG . 1.1 m-80 -129.9 157.12 43.14 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 126.562 1.945 . . . . 42.33 106.41 176.379 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 39.8 t -119.51 134.86 61.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 106.493 -1.669 . . . . 75.21 106.493 -173.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -134.1 161.24 35.42 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 123.899 0.88 . . . . 74.53 109.526 170.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -135.97 91.42 2.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.431 -1.259 . . . . 64.24 109.661 -172.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.12 76.31 3.48 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 122.214 1.007 . . . . 55.22 109.3 178.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 109.251 -0.648 . . . . 75.01 109.251 -175.26 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.237 0.415 0 CA-C-O 121.756 0.789 . . . . 75.21 112.725 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.8 m -101.03 109.28 21.16 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.646 -0.706 . . . . 54.5 109.416 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.9 mt -79.18 114.49 20.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 N-CA-C 105.427 -2.064 . . . . 72.41 105.427 166.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.3 mt -84.75 137.02 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 108.832 -0.803 . . . . 63.1 108.832 174.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.6 mt -106.59 159.22 16.35 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 124.311 1.044 . . . . 70.12 109.369 170.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 mtp-105 -139.53 172.52 12.69 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 125.261 1.424 . . . . 72.41 110.089 172.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.6 t30 73.07 14.3 4.7 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.728 2.011 . . . . 63.25 112.941 172.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.424 ' CD2' ' H ' ' A' ' 11' ' ' LEU . 1.2 mm? -55.83 125.16 20.14 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 120.515 -1.366 . . . . 72.22 108.967 175.036 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -69.93 157.96 88.44 Favored Pre-proline 0 C--O 1.236 0.394 0 CA-C-N 118.012 0.369 . . . . 74.23 110.428 176.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -65.08 -27.35 57.39 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 123.372 2.714 . . . . 64.12 112.316 -170.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -114.16 14.11 18.14 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.75 1.22 . . . . 74.25 112.244 -178.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 t -75.94 -24.23 55.49 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.215 -0.928 . . . . 71.34 113.392 -177.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.347 5.3 t 44.45 -164.59 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 128.069 2.548 . . . . 71.22 111.06 -164.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.0 ptm -91.89 -38.55 12.24 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 128.038 2.535 . . . . 61.32 106.148 162.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -71.72 -13.17 61.64 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 125.684 1.593 . . . . 74.15 112.57 -164.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.2 m -122.5 23.61 9.57 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.078 1.351 . . . . 72.21 111.026 175.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 56.6 mt -120.27 -39.61 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 126.861 2.064 . . . . 72.11 110.38 161.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.95 -40.86 45.15 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.863 1.265 . . . . 51.04 112.599 -167.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.1 -18.46 76.57 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-O 118.901 -0.944 . . . . 71.43 114.208 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.44 13.28 11.79 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 118.961 1.381 . . . . 61.52 112.86 -175.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 tt -126.44 39.46 3.93 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.301 1.041 . . . . 74.53 109.133 169.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.25 54.36 14.38 Favored Pre-proline 0 CA--C 1.549 0.909 0 N-CA-C 114.132 1.16 . . . . 70.11 114.132 -176.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -79.89 -21.79 8.0 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 123.123 2.549 . . . . 52.25 114.636 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.497 ' HB2' HD21 ' A' ' 62' ' ' LEU . 15.8 m-85 -132.61 -24.94 1.94 Allowed 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.82 0.737 . . . . 71.53 112.654 -172.011 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.438 ' HB2' ' CD2' ' A' ' 62' ' ' LEU . . . -136.37 123.35 21.47 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 104.995 -2.224 . . . . 62.44 104.995 178.564 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.4 t -96.6 71.64 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 107.569 -1.271 . . . . 63.1 107.569 -169.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.0 mt -55.37 158.91 2.96 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 126.919 2.088 . . . . 75.31 111.89 -171.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.2 t -118.95 161.96 19.32 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 122.407 1.099 . . . . 71.32 111.638 170.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 m -52.12 -24.08 6.39 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 128.126 2.57 . . . . 75.4 112.481 173.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 p -77.53 -53.77 7.21 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.101 1.36 . . . . 72.41 111.386 175.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -55.48 -42.55 74.54 Favored 'General case' 0 CA--C 1.51 -0.566 0 C-N-CA 125.189 1.395 . . . . 74.14 111.161 -175.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.6 t -81.2 112.57 19.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.864 0 N-CA-C 106.499 -1.667 . . . . 62.14 106.499 178.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.1 mmt-85 -92.05 126.99 37.35 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.978 1.311 . . . . 74.52 108.076 163.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.8 t -129.19 113.33 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 126.879 2.072 . . . . 61.41 107.761 170.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.3 mt -68.19 104.52 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 N-CA-C 105.746 -1.946 . . . . 71.12 105.746 172.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -85.62 132.93 34.08 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.222 -1.399 . . . . 61.4 107.222 168.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.45 137.07 57.21 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 122.736 0.414 . . . . 74.21 110.478 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -65.29 -31.88 73.25 Favored 'General case' 0 CA--C 1.516 -0.344 0 O-C-N 121.304 -0.872 . . . . 62.23 113.35 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -86.79 -55.05 4.03 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.34 -0.985 . . . . 63.42 108.34 -171.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.436 HG23 ' H ' ' A' ' 45' ' ' LEU . 14.9 t -89.65 -14.15 35.47 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 119.023 -0.513 . . . . 74.54 110.888 -168.174 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 72.32 -13.06 0.65 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.924 1.29 . . . . 72.34 112.557 -170.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.436 ' H ' HG23 ' A' ' 43' ' ' THR . 17.9 mt -65.71 178.25 1.07 Allowed 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 120.269 1.395 . . . . 74.45 111.327 178.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -88.18 176.41 7.27 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.98 1.312 . . . . 53.32 109.559 166.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -95.46 15.73 18.87 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.662 1.185 . . . . 72.2 113.655 175.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.34 14.49 71.74 Favored Glycine 0 CA--C 1.533 1.185 0 O-C-N 120.231 -1.543 . . . . 61.21 114.218 176.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.42 ' HA ' HD23 ' A' ' 11' ' ' LEU . 37.5 p90 -142.75 171.41 14.09 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 126.219 1.808 . . . . 70.21 107.754 169.421 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -148.01 171.28 16.07 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 124.602 1.161 . . . . 65.32 108.726 169.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -131.83 100.24 5.02 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.823 1.649 . . . . 74.41 106.795 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.7 mt -78.36 135.97 24.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 105.67 -1.974 . . . . 73.51 105.67 165.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.5 pm0 -141.2 142.49 33.99 Favored 'General case' 0 N--CA 1.432 -1.371 0 CA-C-N 120.234 1.379 . . . . 72.11 108.434 164.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.9 mt -132.65 -171.04 2.56 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 125.064 1.345 . . . . 63.53 108.716 -166.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.48 147.46 3.35 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.915 -0.402 . . . . 74.14 109.915 150.614 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.1 p -47.38 -68.28 0.2 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.968 2.107 . . . . 54.31 111.465 177.104 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.9 mm -61.87 -39.54 83.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 125.397 1.479 . . . . 71.34 110.007 -176.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.46 -53.6 56.53 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.512 0.725 . . . . 75.32 110.047 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.54 -55.48 34.46 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.642 0.777 . . . . 71.41 111.095 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.2 -30.27 69.31 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 112.882 0.697 . . . . 61.23 112.882 -167.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -70.78 -57.46 4.62 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-N 119.275 0.943 . . . . 74.02 109.251 170.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 27' ' ' TYR . 1.0 OUTLIER -52.29 -45.39 65.47 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 124.525 1.13 . . . . 72.01 110.381 -170.226 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.0 tp -46.41 -53.5 10.93 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.095 0.958 . . . . 73.23 110.787 177.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -65.55 -34.85 79.21 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 118.637 -0.697 . . . . 73.14 112.07 -174.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 56.3 mt -54.1 -54.6 19.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 107.209 -1.404 . . . . 73.34 107.209 174.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.6 mt -59.14 -28.73 66.83 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.229 0.826 . . . . 63.22 113.229 -177.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -86.05 14.24 6.53 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.886 0.874 . . . . 74.04 112.337 -173.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -144.06 14.47 1.68 Allowed 'General case' 0 C--O 1.238 0.458 0 N-CA-C 113.989 1.107 . . . . 63.24 113.989 -172.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 pp -139.3 -173.96 3.74 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.483 1.113 . . . . 73.43 110.991 -172.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -46.66 158.47 0.41 Allowed Pre-proline 0 CA--C 1.538 0.504 0 C-N-CA 125.84 1.656 . . . . 62.15 112.43 176.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -69.66 164.92 32.64 Favored 'Trans proline' 0 CA--C 1.544 0.976 0 C-N-CA 121.518 1.479 . . . . 74.41 112.153 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -70.17 161.59 45.43 Favored 'Trans proline' 0 CA--C 1.544 1.016 0 C-N-CA 122.232 1.954 . . . . 73.25 113.391 -176.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.467 ' C ' HD13 ' A' ' 73' ' ' LEU . 3.4 tm? -98.2 116.04 29.58 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 129.409 3.084 . . . . 64.25 108.976 -172.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.26 146.14 25.49 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.486 1.115 . . . . 65.55 109.121 -178.2 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -128.44 16.73 2.93 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 C-N-CA 124.785 1.234 . . . . 72.32 111.187 178.543 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -161.39 37.74 0.14 Allowed 'General case' 0 N--CA 1.482 1.162 0 O-C-N 120.028 -1.67 . . . . 71.25 108.523 168.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.99 14.09 58.37 Favored Glycine 0 CA--C 1.537 1.458 0 O-C-N 120.652 -1.28 . . . . 54.02 115.826 -173.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.453 ' CD ' ' H ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -117.42 98.09 6.23 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 120.54 2.17 . . . . 73.53 109.59 -175.554 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.79 116.66 5.0 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 120.098 -1.626 . . . . 74.41 109.423 177.167 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.7 mm -66.4 165.22 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 124.997 1.319 . . . . 73.31 109.683 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -126.5 168.71 13.87 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 125.298 1.439 . . . . 74.3 110.906 -176.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.3 t -128.69 140.79 48.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 N-CA-C 107.974 -1.121 . . . . 62.34 107.974 -177.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -148.93 165.23 32.19 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 127.839 2.456 . . . . 63.42 106.55 171.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -137.83 104.12 5.19 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.842 0.857 . . . . 74.2 111.459 -169.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.3 84.15 1.89 Allowed 'General case' 0 C--O 1.234 0.254 0 C-N-CA 125.17 1.388 . . . . 74.33 108.347 175.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 C-N-CA 124.808 1.243 . . . . 73.44 107.892 176.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.854 0 N-CA-C 109.65 -1.38 . . . . 70.54 109.65 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -61.51 -32.16 72.19 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 117.485 -1.245 . . . . 65.32 114.244 -171.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 90.2 mtp 44.84 69.29 0.45 Allowed 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.635 1.107 . . . . 72.4 112.609 168.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 66.03 94.06 0.06 Allowed 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 126.726 2.011 . . . . 72.23 111.058 -177.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 56.9 m -139.85 127.42 21.65 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 125.384 1.473 . . . . 74.32 107.778 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.0 mt -85.99 134.4 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 105.19 -2.152 . . . . 70.52 105.19 164.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.5 mt -104.03 150.85 6.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 C-N-CA 125.435 1.494 . . . . 71.13 108.72 170.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.8 mt -117.14 162.0 18.53 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 124.78 1.232 . . . . 70.42 109.066 171.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -145.46 173.6 11.87 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 126.642 1.977 . . . . 74.44 108.597 -177.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.2 t30 60.53 28.25 17.92 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.172 1.389 . . . . 70.42 112.185 169.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.439 HD23 HD12 ' A' ' 80' ' ' ILE . 29.8 mt -73.0 133.86 44.45 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 106.916 -1.513 . . . . 71.35 106.916 171.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.662 ' H ' ' HE2' ' A' ' 78' ' ' LYS . 1.7 m-20 -71.44 161.54 77.86 Favored Pre-proline 0 C--O 1.239 0.511 0 C-N-CA 123.019 0.528 . . . . 70.55 109.676 175.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -54.47 -52.66 7.66 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 123.912 3.075 . . . . 73.12 112.778 174.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -72.02 -14.62 61.93 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.821 1.248 . . . . 63.22 114.27 -173.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.6 m -69.42 167.14 17.21 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 120.944 -1.097 . . . . 71.31 111.634 -174.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.6 t -147.08 169.52 19.09 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 107.049 -1.463 . . . . 61.22 107.049 171.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 59.0 ttp -60.33 -51.3 70.1 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 127.784 2.434 . . . . 73.15 107.641 -174.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.39 -28.34 69.17 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 118.504 0.593 . . . . 61.3 112.17 -175.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.0 m -71.58 -55.59 7.49 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 109.161 -0.681 . . . . 63.44 109.161 175.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.0 mt -55.05 -44.48 74.42 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.154 0 C-N-CA 123.911 0.884 . . . . 62.4 109.993 177.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.405 HD21 HG21 ' A' ' 35' ' ' VAL . 26.6 mt -59.17 -15.69 16.17 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.127 0.788 . . . . 62.2 113.127 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.74 -52.02 4.58 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 119.329 0.968 . . . . 74.44 111.4 172.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -111.9 13.78 20.9 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.476 0.917 . . . . 62.54 113.476 -164.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.8 tp -119.31 14.99 13.04 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 124.636 1.174 . . . . 73.3 110.61 173.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -133.07 54.2 12.8 Favored Pre-proline 0 CA--C 1.54 0.578 0 O-C-N 121.025 -1.047 . . . . 74.2 112.969 -168.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -72.18 -51.57 0.21 Allowed 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 121.784 1.656 . . . . 71.24 111.191 174.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.401 ' CZ ' HD22 ' A' ' 69' ' ' LEU . 92.0 m-85 -75.4 -56.51 4.63 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-O 118.804 -0.617 . . . . 74.41 110.252 -172.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.13 153.74 49.06 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.98 1.712 . . . . 74.24 108.912 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.3 t -122.21 116.43 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 106.483 -1.673 . . . . 74.32 106.483 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -64.22 172.39 2.49 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 122.623 0.369 . . . . 70.1 111.251 170.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.9 m -84.9 -85.56 0.14 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.602 -0.888 . . . . 72.33 108.602 165.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.4 p -170.26 -50.63 0.02 OUTLIER 'General case' 0 C--O 1.233 0.204 0 CA-C-N 119.566 1.075 . . . . 54.32 111.325 -168.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 p -63.5 -24.89 68.01 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 121.159 -0.963 . . . . 70.12 110.243 176.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -52.3 -48.44 65.36 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.799 1.24 . . . . 70.52 110.126 172.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.405 HG21 HD21 ' A' ' 21' ' ' LEU . 27.0 t -100.38 85.46 1.12 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-O 123.78 1.752 . . . . 64.11 109.667 -159.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.3 mmt-85 -71.95 93.36 1.35 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.887 1.675 . . . . 73.43 109.78 174.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.0 t -95.19 103.03 14.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 N-CA-C 104.189 -2.522 . . . . 74.44 104.189 162.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.0 mt -66.72 143.58 15.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 106.975 -1.491 . . . . 71.11 106.975 169.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.69 149.79 52.37 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.394 1.078 . . . . 64.24 110.661 176.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -63.46 178.67 0.53 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.251 1.82 . . . . 74.24 110.162 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -119.38 -30.55 4.86 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.7 -1.25 . . . . 64.31 112.125 167.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -80.96 -53.47 6.41 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 107.711 -1.218 . . . . 74.51 107.711 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.9 p -83.45 -14.28 52.88 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 121.051 -0.26 . . . . 63.31 110.997 -170.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 53.07 43.26 31.9 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.796 1.239 . . . . 71.55 109.847 -174.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.2 mt -116.81 174.09 6.28 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 124.996 1.318 . . . . 70.22 108.548 174.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -80.5 179.81 7.55 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 124.91 1.284 . . . . 71.32 109.759 172.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -89.55 -13.37 37.46 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.024 0.929 . . . . 73.15 112.848 163.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.92 -21.63 42.69 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-N 119.378 0.99 . . . . 71.53 114.155 169.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -105.78 170.95 7.6 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 121.17 -1.194 . . . . 73.25 108.287 162.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -152.17 175.97 12.04 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 124.546 1.138 . . . . 73.32 109.389 171.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -134.91 141.83 46.4 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.819 1.648 . . . . 72.42 107.699 -175.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.6 mt -121.09 109.8 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 127.777 2.431 . . . . 72.42 106.902 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.07 124.77 36.41 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 106.989 -1.486 . . . . 72.42 106.989 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.406 ' HB2' ' HB2' ' A' ' 59' ' ' ALA . 26.7 mt -141.12 169.34 17.79 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 125.836 1.655 . . . . 72.31 108.798 -178.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.4 t -65.66 166.08 11.38 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.857 0.863 . . . . 61.3 110.978 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.4 m -51.86 -29.14 18.46 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 127.775 2.43 . . . . 73.41 114.022 -169.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.2 mt -117.88 -25.88 2.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 125.402 1.481 . . . . 74.13 110.584 -176.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.63 -44.7 85.63 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.88 0.872 . . . . 73.52 111.266 -174.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.406 ' HB2' ' HB2' ' A' ' 54' ' ' LEU . . . -53.8 -54.75 33.95 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 123.626 0.579 . . . . 65.14 109.603 175.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.56 -47.26 76.68 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.3 1.44 . . . . 71.1 112.583 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -60.08 -60.23 4.16 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 118.837 0.744 . . . . 74.5 109.241 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 tt -52.7 -48.59 66.48 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.849 1.26 . . . . 72.53 110.052 -175.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -45.84 92.14 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 118.428 -0.796 . . . . 71.1 111.585 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -59.91 -36.36 76.84 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 120.054 1.297 . . . . 61.52 110.663 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 57.4 mt -51.38 -57.95 2.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 108.528 -0.916 . . . . 72.54 108.528 173.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.57 -16.66 49.95 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 126.079 1.752 . . . . 74.5 114.432 -178.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -98.5 13.41 31.9 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 119.614 1.097 . . . . 74.53 111.736 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -129.99 13.29 5.74 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 113.523 0.934 . . . . 70.12 113.523 -174.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.401 HD22 ' CZ ' ' A' ' 27' ' ' TYR . 4.3 pp -154.2 -171.79 3.99 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.729 0.695 . . . . 74.2 111.28 -166.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -46.45 152.61 0.84 Allowed Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 125.568 1.547 . . . . 74.31 113.567 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -64.79 161.65 35.22 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.587 2.192 . . . . 73.2 111.629 -178.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -69.03 167.19 24.19 Favored 'Trans proline' 0 N--CA 1.449 -1.135 0 C-N-CA 122.113 1.875 . . . . 54.13 110.904 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.458 HD23 ' H ' ' A' ' 74' ' ' THR . 0.2 OUTLIER -91.87 -179.46 5.31 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 127.152 2.181 . . . . 74.11 109.845 -172.054 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.458 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -132.76 151.05 52.08 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 124.638 1.175 . . . . 53.43 108.126 169.415 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -131.05 22.02 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 C-N-CA 125.313 1.445 . . . . 70.54 109.52 -178.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.486 ' CB ' ' HE3' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -166.72 -22.8 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 114.021 1.119 . . . . 74.15 114.021 179.558 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.95 13.64 3.6 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 128.662 3.029 . . . . 64.35 111.17 -178.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.662 ' HE2' ' H ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -119.16 111.65 18.52 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 127.582 2.353 . . . . 70.25 109.401 -177.895 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 m -72.66 121.81 20.4 Favored 'General case' 0 C--N 1.332 -0.192 0 O-C-N 121.459 -0.776 . . . . 74.22 109.465 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.439 HD12 HD23 ' A' ' 11' ' ' LEU . 23.1 mm -65.34 160.35 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 119.105 0.866 . . . . 70.2 110.592 -175.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.66 152.57 39.19 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 125.164 1.385 . . . . 50.3 107.432 171.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 t -117.02 137.5 50.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 N-CA-C 106.824 -1.546 . . . . 61.31 106.824 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -133.21 164.5 26.93 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 125.28 1.432 . . . . 70.2 108.026 172.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -139.74 116.13 10.6 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 124.225 1.01 . . . . 73.51 108.551 -176.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -117.71 70.79 0.8 Allowed 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 107.938 -1.134 . . . . 64.43 107.938 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.2 66.71 2.37 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.615 1.166 . . . . 70.43 108.558 173.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -95.28 89.29 1.16 Allowed Glycine 0 C--O 1.238 0.358 0 N-CA-C 108.18 -1.968 . . . . 71.11 108.18 176.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.6 p . . . . . 0 C--O 1.256 1.427 0 C-N-CA 123.95 0.9 . . . . 73.4 110.351 -176.05 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.42 0 N-CA-C 109.942 -1.263 . . . . 23.32 109.942 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -155.43 136.07 13.44 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 105.847 -1.908 . . . . 63.13 105.847 -176.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 34.7 mtm 74.17 30.35 1.22 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.315 1.446 . . . . 43.4 110.598 -159.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -165.79 121.24 1.28 Allowed 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 126.38 1.872 . . . . 75.33 108.597 -177.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.6 m -145.76 134.05 21.77 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 127.301 2.24 . . . . 61.01 108.405 147.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.8 mt -103.65 134.1 45.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 104.342 -2.466 . . . . 73.1 104.342 163.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.1 mt -108.25 144.7 16.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 107.485 -1.302 . . . . 74.23 107.485 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.422 HD11 HD11 ' A' ' 52' ' ' ILE . 6.8 mp -111.39 155.41 23.17 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.08 1.352 . . . . 63.54 107.886 173.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 -136.7 173.1 12.07 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 124.657 1.183 . . . . 73.5 108.853 171.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 61.7 t30 60.95 27.37 17.24 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.229 1.812 . . . . 74.32 113.256 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.403 ' CD2' ' H ' ' A' ' 11' ' ' LEU . 0.7 OUTLIER -66.35 115.81 6.69 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 119.69 -1.881 . . . . 75.14 106.216 165.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -58.4 156.64 21.27 Favored Pre-proline 0 C--O 1.236 0.349 0 CA-C-N 118.498 0.59 . . . . 72.4 110.107 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -59.7 -39.96 68.86 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 123.155 2.57 . . . . 64.53 111.923 -172.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -100.44 14.06 32.43 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.267 1.027 . . . . 72.5 112.952 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 73.2 m -74.81 168.24 20.27 Favored 'General case' 0 CA--C 1.53 0.178 0 O-C-N 121.101 -1.0 . . . . 51.21 110.874 167.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 p -124.85 -164.4 1.27 Allowed 'General case' 0 C--O 1.236 0.347 0 C-N-CA 124.02 0.928 . . . . 63.4 108.553 -178.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.8 ptm -88.14 -59.98 2.09 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 107.474 -1.306 . . . . 71.24 107.474 162.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -44.6 -44.43 8.87 Favored 'General case' 0 CA--C 1.521 -0.14 0 C-N-CA 127.611 2.364 . . . . 61.33 113.03 -178.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.7 m -74.26 -23.67 59.17 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.693 0.627 . . . . 64.4 112.693 -174.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.9 mt -85.18 -46.01 17.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 N-CA-C 108.418 -0.956 . . . . 74.41 108.418 169.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.8 mt -59.18 -37.84 78.37 Favored 'General case' 0 C--O 1.227 -0.097 0 C-N-CA 124.563 1.145 . . . . 62.52 111.215 -174.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.32 14.53 49.91 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-O 118.52 -1.155 . . . . 72.11 113.949 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -141.3 -25.4 0.72 Allowed 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.907 1.353 . . . . 64.5 113.028 -178.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 tt -113.27 37.25 3.24 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.879 2.071 . . . . 74.2 108.736 -175.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.48 53.85 1.16 Allowed Pre-proline 0 CA--C 1.551 1.011 0 N-CA-C 114.694 1.368 . . . . 73.44 114.694 174.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -84.12 -16.23 6.28 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 123.61 2.873 . . . . 65.01 115.253 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -133.01 -26.83 1.69 Allowed 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 120.196 1.362 . . . . 73.03 113.608 -175.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.26 155.88 46.69 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 126.364 1.866 . . . . 62.43 106.69 169.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.2 t -140.0 81.55 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 106.629 -1.619 . . . . 64.3 106.629 -167.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.8 mt -66.22 143.43 57.24 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 123.318 0.647 . . . . 71.43 109.991 -167.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.9 m -85.45 37.24 0.68 Allowed 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.657 1.583 . . . . 74.4 111.662 -168.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.9 m 60.19 -64.01 0.06 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 127.408 2.283 . . . . 73.44 114.319 -177.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.4 t -50.14 -35.21 24.96 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 126.773 2.029 . . . . 55.1 111.466 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -50.41 -33.16 19.75 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 118.773 -0.632 . . . . 74.12 111.883 173.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.7 t -108.28 137.82 38.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 119.513 1.051 . . . . 73.11 111.626 -162.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.51 90.26 2.97 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 126.533 1.933 . . . . 75.42 108.657 -176.178 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.6 t -87.36 97.57 6.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 105.449 -2.056 . . . . 72.33 105.449 160.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.2 mt -78.3 138.19 20.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 107.172 -1.418 . . . . 62.44 107.172 176.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -85.4 158.46 20.23 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 123.182 0.593 . . . . 75.23 110.701 173.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.69 -174.77 0.11 Allowed 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 124.538 1.135 . . . . 61.15 113.194 172.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -108.99 -29.77 8.41 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.725 1.61 . . . . 75.55 112.99 169.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -101.36 -46.44 5.01 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.273 0.629 . . . . 61.51 109.466 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.406 ' C ' ' H ' ' A' ' 45' ' ' LEU . 52.9 p -82.15 -16.07 51.12 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 118.767 -1.173 . . . . 73.23 111.74 -166.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 65.34 -13.41 0.13 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 127.742 2.417 . . . . 71.34 114.108 -172.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.406 ' H ' ' C ' ' A' ' 43' ' ' THR . 31.5 mt -65.39 -179.08 0.57 Allowed 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 127.722 2.409 . . . . 75.42 110.482 172.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -69.87 166.71 18.88 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 124.703 1.201 . . . . 73.32 109.906 168.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -73.78 -14.24 61.08 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 118.276 -0.868 . . . . 73.51 113.205 165.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.7 -15.47 62.98 Favored Glycine 0 CA--C 1.528 0.889 0 CA-C-N 119.943 1.247 . . . . 20.35 113.071 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -123.43 160.08 27.62 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 126.823 2.049 . . . . 71.13 107.493 167.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -145.93 175.39 10.47 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 123.929 0.892 . . . . 52.22 109.419 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -132.29 154.7 49.42 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.154 1.382 . . . . 74.33 108.656 -172.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.422 HD11 HD11 ' A' ' 8' ' ' LEU . 66.3 mt -127.14 140.44 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 128.233 2.613 . . . . 60.33 107.57 170.234 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -127.57 90.26 3.09 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 127.603 2.361 . . . . 75.13 107.792 179.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.6 mt -93.77 -173.95 3.31 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 126.141 1.776 . . . . 71.24 110.622 -174.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.5 t -70.02 154.32 42.09 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 107.13 -1.434 . . . . 73.31 107.13 156.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.1 m -59.84 -46.29 89.74 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.898 0.879 . . . . 75.02 111.323 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.1 mt -64.21 -46.51 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 O-C-N 121.295 -0.878 . . . . 53.33 109.581 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -63.28 -44.77 94.14 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.099 0.56 . . . . 64.3 110.351 -176.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.12 -43.77 74.41 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.577 1.151 . . . . 63.42 110.519 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.12 -62.39 1.58 Allowed 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 122.558 0.343 . . . . 43.34 110.735 173.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -53.21 -52.98 57.13 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 124.319 1.048 . . . . 73.1 111.423 -171.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.24 -44.08 92.36 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.588 1.155 . . . . 72.42 109.859 -177.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 tp -58.98 -39.77 82.77 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 110.026 -0.361 . . . . 75.04 110.026 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -63.4 -40.61 97.66 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.368 0.531 . . . . 74.03 110.735 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 62.5 mt -59.44 -50.05 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 N-CA-C 107.864 -1.162 . . . . 74.41 107.864 174.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.9 mt -60.23 -14.67 19.0 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 114.214 1.19 . . . . 71.2 114.214 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -107.94 31.86 5.19 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.029 1.732 . . . . 71.32 111.037 175.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.57 -30.19 0.13 Allowed 'General case' 0 C--O 1.236 0.386 0 C-N-CA 124.903 1.281 . . . . 72.01 113.885 169.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -172.09 1.25 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.283 1.833 . . . . 73.3 114.672 -169.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -66.08 144.87 98.94 Favored Pre-proline 0 CA--C 1.535 0.373 0 C-N-CA 123.87 0.868 . . . . 63.1 111.074 172.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -65.53 161.78 36.87 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 122.817 2.344 . . . . 73.32 112.204 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -73.79 140.37 29.0 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 122.605 2.203 . . . . 65.2 113.26 -171.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 tt -61.32 114.18 3.04 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 127.986 2.514 . . . . 73.54 107.983 172.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.86 145.47 32.71 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.301 -0.875 . . . . 64.3 108.675 174.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.0 16.38 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 124.108 0.963 . . . . 63.13 111.071 -171.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -170.63 24.32 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 126.491 1.917 . . . . 73.44 109.702 176.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.45 19.89 79.73 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 120.558 -1.339 . . . . 45.04 114.317 -175.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.509 ' CE ' HD11 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -119.54 95.68 4.89 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 127.921 2.488 . . . . 70.31 110.622 -179.411 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.7 m -63.49 116.16 5.33 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.239 -1.022 . . . . 72.44 108.239 172.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.509 HD11 ' CE ' ' A' ' 78' ' ' LYS . 48.8 mm -61.92 163.85 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 124.268 1.027 . . . . 72.2 110.161 177.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.8 161.57 22.46 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 125.938 1.695 . . . . 70.53 109.227 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 t -121.77 142.46 37.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 125.844 1.658 . . . . 65.31 106.848 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -148.19 165.01 32.21 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 126.117 1.767 . . . . 44.22 107.728 174.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -129.66 128.82 43.37 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 106.975 -1.491 . . . . 61.1 106.975 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.47 64.79 1.54 Allowed 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 107.526 -1.287 . . . . 73.23 107.526 174.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.39 55.01 1.19 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.728 1.611 . . . . 64.01 109.012 -178.154 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.65 15.58 47.89 Favored Glycine 0 CA--C 1.534 1.233 0 O-C-N 120.584 -1.323 . . . . 75.04 113.939 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.25 1.112 0 C-N-CA 126.168 1.787 . . . . 71.42 107.497 -178.882 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.888 0 N-CA-C 110.589 -1.004 . . . . 52.24 110.589 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -154.79 -64.53 0.13 Allowed 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 107.553 -1.277 . . . . 75.21 107.553 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.13 165.49 0.22 Allowed 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.978 1.311 . . . . 61.5 110.359 167.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.443 ' HB3' ' CB ' ' A' ' 59' ' ' ALA . 19.6 m-20 71.65 86.31 0.12 Allowed 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 126.414 1.886 . . . . 73.4 109.782 172.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.9 m -119.72 108.32 14.29 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 112.631 -2.077 . . . . 61.32 105.515 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.9 mt -81.56 144.0 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 104.495 -2.409 . . . . 53.33 104.495 160.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.1 mt -126.07 137.87 56.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 105.587 -2.005 . . . . 72.41 105.587 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.7 mt -102.42 157.25 17.05 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 107.965 -1.124 . . . . 64.31 107.965 170.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -134.27 176.3 8.72 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 126.474 1.91 . . . . 75.3 108.626 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.6 t30 48.52 52.67 13.34 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 125.432 1.493 . . . . 62.21 110.939 173.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.4 mt -95.54 131.34 41.83 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 106.381 -1.711 . . . . 55.03 106.381 172.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -73.4 159.41 84.86 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 108.944 -0.762 . . . . 64.4 108.944 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -68.51 -17.88 43.45 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 124.035 3.156 . . . . 74.51 114.158 -177.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.26 -25.6 42.51 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.094 0.958 . . . . 73.03 111.957 172.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.6 p -71.7 170.33 13.75 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 119.7 -0.8 . . . . 75.22 112.095 -160.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 t -146.73 165.31 30.03 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 106.15 -1.796 . . . . 55.24 106.15 164.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.6 ptt? -52.76 -36.7 58.36 Favored 'General case' 0 C--O 1.211 -0.968 0 C-N-CA 124.789 1.236 . . . . 44.32 109.804 160.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.84 -29.43 69.5 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 120.178 1.353 . . . . 75.2 112.563 -174.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -77.41 -63.44 1.37 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.565 1.546 . . . . 60.1 107.42 175.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.474 HD11 ' HZ1' ' A' ' 78' ' ' LYS . 68.7 mt -63.28 -25.98 39.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 127.01 2.124 . . . . 61.42 111.687 -169.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.3 mt -68.14 -19.41 64.81 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 120.481 -1.387 . . . . 75.12 113.209 175.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.11 -33.21 5.28 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.17 -0.772 . . . . 74.1 111.17 172.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.08 -36.59 16.85 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 122.039 -0.683 . . . . 61.5 111.565 -170.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.5 tp -102.56 42.48 1.14 Allowed 'General case' 0 C--O 1.233 0.216 0 N-CA-C 107.678 -1.23 . . . . 72.34 107.678 -178.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.68 54.14 2.78 Favored Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 123.834 0.854 . . . . 60.11 111.188 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.48 ' HG2' ' CD1' ' A' ' 27' ' ' TYR . 60.9 Cg_endo -71.26 -24.7 22.84 Favored 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 122.527 2.151 . . . . 61.12 113.996 -175.124 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.48 ' CD1' ' HG2' ' A' ' 26' ' ' PRO . 7.8 m-85 -135.46 -59.36 0.77 Allowed 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 107.629 -1.249 . . . . 75.5 107.629 -169.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.42 164.13 12.1 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 124.386 1.075 . . . . 75.54 109.358 176.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.9 t -139.46 112.01 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 N-CA-C 107.331 -1.359 . . . . 72.13 107.331 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.3 mt -79.73 -171.77 3.0 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.341 1.856 . . . . 63.34 110.883 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 74.1 m -129.94 164.13 24.88 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.728 1.611 . . . . 40.22 110.444 165.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.8 p -66.6 -24.97 66.4 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 120.798 -1.189 . . . . 63.02 111.872 -176.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 p -54.69 -24.9 23.96 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 125.03 1.332 . . . . 71.14 112.467 168.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -111.05 14.27 21.93 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 126.037 1.735 . . . . 42.3 109.676 -171.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.5 t -135.74 92.99 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 107.199 -1.408 . . . . 72.13 107.199 174.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.56 98.0 2.73 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 107.047 -1.464 . . . . 75.2 107.047 169.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.7 t -98.38 106.01 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 104.71 -2.329 . . . . 61.32 104.71 164.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.3 mt -70.25 138.3 22.27 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 106.518 -1.66 . . . . 73.23 106.518 165.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.47 157.88 41.44 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 123.431 0.692 . . . . 71.44 109.61 175.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -69.81 163.58 25.51 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.658 1.183 . . . . 73.13 110.405 -178.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -103.84 -20.3 13.97 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.235 1.414 . . . . 55.23 112.754 -178.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -112.16 -46.25 3.22 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 125.601 1.561 . . . . 74.31 108.728 -174.06 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.3 p -89.93 -16.3 30.23 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 118.097 0.408 . . . . 74.41 111.742 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 53.76 46.33 26.06 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.122 1.369 . . . . 72.31 110.952 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.2 mt -124.64 156.15 38.0 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.789 1.636 . . . . 75.31 109.625 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -66.95 164.26 17.99 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 122.742 1.258 . . . . 60.24 112.467 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.48 -13.69 60.39 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.37 -0.831 . . . . 72.21 111.288 167.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.51 -14.79 64.48 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-N 119.985 1.266 . . . . 60.23 114.457 171.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -120.57 160.16 23.78 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 106.891 -1.522 . . . . 72.31 106.891 162.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -143.7 157.08 44.65 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 124.532 1.133 . . . . 74.24 108.933 -177.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -106.97 153.76 22.09 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 125.104 1.361 . . . . 60.12 107.708 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.5 mt -133.03 128.53 56.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 C-N-CA 127.03 2.132 . . . . 74.54 107.157 176.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -105.4 126.53 52.22 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 106.135 -1.802 . . . . 73.2 106.135 171.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.2 mt -136.57 169.97 16.82 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 125.821 1.648 . . . . 64.54 107.328 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.5 t -65.69 162.37 18.67 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 108.929 -0.767 . . . . 73.1 108.929 169.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.9 m -45.47 -51.83 11.06 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 127.606 2.362 . . . . 73.4 110.612 173.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.1 mt -68.23 -52.55 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 109.031 -0.729 . . . . 54.4 109.031 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.41 -47.31 86.65 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.431 0.692 . . . . 75.3 110.874 -168.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 4' ' ' ASP . . . -57.96 -56.69 18.75 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.234 1.014 . . . . 34.15 109.173 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.49 -61.28 2.41 Favored 'General case' 0 N--CA 1.446 -0.661 0 O-C-N 124.146 0.903 . . . . 75.14 109.636 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -57.18 -47.76 80.44 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 118.42 -0.8 . . . . 60.31 111.194 -174.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.72 -48.03 78.64 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 119.368 0.985 . . . . 74.2 110.408 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 tp -62.66 -35.36 79.39 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 119.18 -0.438 . . . . 73.11 110.375 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -62.24 -54.49 40.11 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-N 118.959 0.8 . . . . 44.34 109.467 175.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 58.7 mt -44.61 -58.69 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.24 0 C-N-CA 124.708 1.203 . . . . 72.4 109.876 175.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.5 mt -67.78 -14.3 62.83 Favored 'General case' 0 C--N 1.34 0.181 0 N-CA-C 115.87 1.804 . . . . 41.3 115.87 -171.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -99.83 12.89 35.55 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 120.013 1.278 . . . . 73.1 111.904 176.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -123.16 14.07 9.73 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.869 0.868 . . . . 71.43 112.067 -175.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 pp -148.97 -174.15 4.56 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.585 0.754 . . . . 43.14 111.942 -167.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -53.02 156.85 3.23 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 126.242 1.817 . . . . 73.22 112.514 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -67.92 163.24 36.4 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 121.875 1.717 . . . . 73.22 112.306 -176.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -64.02 142.69 82.36 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 123.118 2.545 . . . . 71.3 111.669 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.46 124.8 27.25 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.829 2.052 . . . . 74.14 107.398 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.9 t -89.18 151.25 22.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.059 -0.719 . . . . 75.33 109.059 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.7 mp -129.57 14.08 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 123.898 0.879 . . . . 73.13 110.84 -167.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 174.67 30.25 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 127.008 2.123 . . . . 53.24 108.186 -177.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.39 24.82 66.12 Favored Glycine 0 CA--C 1.534 1.24 0 O-C-N 119.304 -2.122 . . . . 54.13 112.617 -175.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.562 ' HE2' HD11 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -112.63 91.95 3.84 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 126.881 2.072 . . . . 73.3 109.378 171.641 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.27 121.11 13.5 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.122 -1.066 . . . . 75.44 108.122 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.562 HD11 ' HE2' ' A' ' 78' ' ' LYS . 35.3 mm -62.66 163.48 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 N-CA-C 108.057 -1.09 . . . . 75.54 108.057 -178.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.12 160.38 37.97 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 107.519 -1.289 . . . . 75.42 107.519 166.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.8 t -121.3 143.78 32.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 108.003 -1.11 . . . . 71.44 108.003 -174.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -125.06 159.13 32.1 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 122.34 1.067 . . . . 75.4 108.977 153.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -114.94 93.74 4.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.008 -1.906 . . . . 74.51 105.948 168.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.83 70.38 10.35 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 106.596 -1.631 . . . . 75.21 106.596 170.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.9 tptp -82.83 75.77 9.71 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 107.61 -1.255 . . . . 64.41 107.61 176.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -51.65 119.86 9.25 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 107.682 -2.167 . . . . 75.23 107.682 172.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 C--O 1.253 1.26 0 C-N-CA 126.267 1.827 . . . . 72.14 107.078 -175.576 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.666 0 N-CA-C 110.68 -0.968 . . . . 73.45 110.68 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -125.24 -61.54 1.27 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 107.42 -1.326 . . . . 70.14 107.42 170.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.5 mtp -60.77 131.04 49.44 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 107.392 -1.336 . . . . 72.21 107.392 157.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 46.44 83.54 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 128.666 2.786 . . . . 62.35 111.987 158.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.8 m -132.95 107.78 8.5 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 106.084 -1.821 . . . . 64.22 106.084 172.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.6 mt -82.01 124.48 39.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 104.572 -2.381 . . . . 73.51 104.572 173.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 mp -99.35 136.63 29.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 124.229 1.011 . . . . 54.13 109.918 176.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mp -93.89 149.0 21.61 Favored 'General case' 0 N--CA 1.461 0.102 0 C-N-CA 126.565 1.946 . . . . 72.14 106.968 167.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.56 176.8 8.6 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 126.153 1.781 . . . . 70.52 107.704 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 56.9 t30 52.03 48.63 22.36 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 125.46 1.504 . . . . 75.41 110.51 -177.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.468 HD23 HD12 ' A' ' 80' ' ' ILE . 93.8 mt -94.02 128.13 40.21 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 107.589 -1.263 . . . . 73.12 107.589 176.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.428 ' HB2' ' HE2' ' A' ' 78' ' ' LYS . 2.7 m-20 -67.68 144.69 97.73 Favored Pre-proline 0 C--O 1.239 0.51 0 CA-C-O 117.492 -1.242 . . . . 74.51 107.805 173.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.92 -32.67 35.16 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 123.962 3.108 . . . . 74.15 112.446 -174.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -57.28 -32.03 66.21 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.236 0.615 . . . . 74.34 112.438 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.97 172.88 12.82 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 122.404 1.097 . . . . 73.13 111.763 -170.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.0 p -122.66 -86.98 0.64 Allowed 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.083 1.753 . . . . 74.31 107.214 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.7 tpt -163.62 -37.3 0.03 OUTLIER 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 126.756 2.022 . . . . 73.51 109.357 171.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -56.81 -48.43 77.98 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.33 1.052 . . . . 64.43 111.398 -172.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.57 24.51 0.58 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.757 1.623 . . . . 70.44 112.061 177.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.8 mt -123.48 -41.96 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 126.186 1.794 . . . . 54.43 108.511 166.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.4 mt -64.69 -14.71 59.56 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 120.043 1.292 . . . . 71.21 114.062 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -86.97 -14.7 64.2 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 119.653 1.115 . . . . 63.13 112.96 173.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -141.44 12.68 2.15 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 119.001 1.401 . . . . 41.05 114.604 -172.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.9 tp -127.48 19.31 6.82 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.699 1.199 . . . . 71.53 108.911 170.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -122.58 54.25 5.7 Favored Pre-proline 0 N--CA 1.449 -0.523 0 O-C-N 120.819 -1.175 . . . . 75.21 112.442 -174.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -74.38 -16.95 21.64 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 121.878 1.719 . . . . 74.41 113.375 170.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -137.37 -66.86 0.5 Allowed 'General case' 0 C--N 1.343 0.324 0 CA-C-N 119.597 1.089 . . . . 72.41 110.735 -177.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.51 127.12 31.74 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 107.243 -1.392 . . . . 74.55 107.243 171.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.7 t -134.02 82.5 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 106.934 -1.506 . . . . 73.53 106.934 -172.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -75.48 154.53 36.92 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.981 0.419 . . . . 74.15 111.633 -169.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.9 m -86.36 58.17 4.9 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.891 1.276 . . . . 72.32 110.372 174.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.5 t 58.21 -81.2 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 126.269 1.828 . . . . 53.22 113.16 171.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 t -62.96 -23.2 67.3 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 119.958 1.254 . . . . 71.23 113.231 -174.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -45.52 -35.6 3.99 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 120.475 1.488 . . . . 73.55 110.938 167.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.0 t -89.31 102.74 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 CA-C-O 121.688 0.756 . . . . 72.54 109.454 172.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.62 118.48 12.54 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.282 1.433 . . . . 74.32 108.905 165.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 23.6 t -122.29 115.48 46.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 126.41 1.884 . . . . 61.32 108.523 174.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.4 mt -87.54 150.33 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 125.097 1.359 . . . . 61.11 108.364 172.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.87 157.64 39.94 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 124.434 1.094 . . . . 73.14 109.108 167.164 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -73.61 168.32 19.56 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.939 0.876 . . . . 61.53 111.94 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -83.04 -51.46 7.53 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.235 1.414 . . . . 71.11 109.448 175.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -68.22 -60.66 2.3 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 119.224 0.92 . . . . 70.32 110.166 176.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 45.5 p -82.65 -19.92 37.29 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.986 -0.285 . . . . 63.22 110.771 -161.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 60.97 15.65 6.29 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.016 1.727 . . . . 72.23 112.307 -176.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.0 mt -108.43 157.68 18.2 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 125.538 1.535 . . . . 70.25 109.018 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -63.59 167.44 5.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 122.697 1.237 . . . . 54.01 113.873 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -84.02 -12.97 54.38 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.382 1.873 . . . . 72.15 112.322 -176.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.79 13.24 54.02 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 126.397 1.951 . . . . 52.05 113.409 -176.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -154.7 165.52 36.29 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 125.372 1.469 . . . . 74.35 109.355 176.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -152.6 168.06 26.83 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.236 1.414 . . . . 41.42 109.857 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -130.23 105.8 8.16 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 124.427 1.091 . . . . 72.31 110.261 -164.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.0 mt -75.19 143.33 13.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 124.891 1.276 . . . . 73.51 109.366 169.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -122.74 124.49 43.49 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 126.611 1.964 . . . . 65.43 107.175 170.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.9 mt -135.68 178.02 7.37 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.864 2.066 . . . . 72.51 108.533 178.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.5 m -60.92 159.15 11.82 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 123.591 0.756 . . . . 65.33 110.466 168.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.1 p -61.95 -30.83 71.18 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.811 0.844 . . . . 70.13 112.323 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.1 mm -87.73 -49.21 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 123.964 0.906 . . . . 71.22 109.637 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.19 -46.8 87.32 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 118.878 -0.582 . . . . 73.11 110.505 -172.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.1 -55.71 19.1 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.471 -0.566 . . . . 61.22 109.471 178.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.5 -57.75 10.63 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.058 0.943 . . . . 64.34 111.244 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -55.04 -53.42 56.01 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 123.407 0.683 . . . . 72.43 111.412 -173.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.18 -39.83 86.48 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.54 1.136 . . . . 34.24 109.562 -173.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.3 -42.09 85.88 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 118.067 -0.968 . . . . 52.22 110.455 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -59.24 -34.45 72.23 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.627 0.649 . . . . 74.45 111.167 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 29.1 mt -61.62 -55.61 23.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 N-CA-C 107.682 -1.229 . . . . 73.11 107.682 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.406 ' HA ' HD11 ' A' ' 69' ' ' LEU . 2.4 mm? -57.76 -14.44 5.81 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.659 1.584 . . . . 63.32 114.76 174.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -97.72 14.73 25.83 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 119.72 1.145 . . . . 62.35 112.041 177.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -144.16 13.9 1.64 Allowed 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 114.708 1.373 . . . . 42.31 114.708 -173.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.428 ' H ' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -135.18 -163.5 1.39 Allowed 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.755 1.222 . . . . 75.31 112.758 -168.126 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -70.92 146.44 93.05 Favored Pre-proline 0 CA--C 1.548 0.878 0 O-C-N 122.086 -0.384 . . . . 75.44 110.364 175.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -66.93 169.49 14.75 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 124.283 3.322 . . . . 44.43 113.162 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -71.5 155.49 59.53 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.475 2.117 . . . . 73.15 113.744 -174.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.6 tt -75.33 119.75 19.86 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 128.201 2.601 . . . . 74.43 107.484 173.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.82 135.17 34.21 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.216 -0.927 . . . . 75.32 108.932 176.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.82 13.48 6.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 122.969 0.508 . . . . 75.15 110.938 -171.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -168.67 32.94 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.593 1.557 . . . . 74.12 109.653 177.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.11 21.48 66.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 120.827 -1.171 . . . . 72.55 114.142 -178.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.428 ' HE2' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -119.93 111.6 18.13 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 127.63 2.372 . . . . 74.43 108.134 174.143 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 50.3 m -84.13 125.49 32.21 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.809 -0.812 . . . . 75.22 108.809 177.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.468 HD12 HD23 ' A' ' 11' ' ' LEU . 19.8 mm -71.18 165.81 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 124.315 1.046 . . . . 74.14 109.77 -174.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.9 162.73 21.68 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 126.839 2.056 . . . . 73.21 109.422 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.4 t -103.52 143.09 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 125.498 1.519 . . . . 74.32 109.191 166.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -139.35 161.49 37.33 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.983 0.913 . . . . 72.53 109.468 155.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -135.06 95.58 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 125.195 1.398 . . . . 53.22 108.856 -173.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.08 85.09 6.91 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 107.543 -1.281 . . . . 41.23 107.543 169.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -101.13 69.92 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 128.256 2.622 . . . . 74.33 107.762 172.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -68.29 -15.43 67.86 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 118.894 -0.948 . . . . 33.23 112.813 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.253 1.246 0 CA-C-N 118.244 1.022 . . . . 65.52 109.935 -167.548 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.11 0 N-CA-C 111.282 -0.727 . . . . 72.22 111.282 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 51.7 m80 56.6 29.86 16.35 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.721 1.208 . . . . 75.04 111.473 -171.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 47.8 mtt -73.46 23.24 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 126.177 1.791 . . . . 74.12 111.793 177.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -173.29 84.72 0.05 Allowed 'General case' 0 N--CA 1.437 -1.124 0 CA-C-O 122.608 1.194 . . . . 74.14 110.942 -171.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -135.84 107.93 7.2 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.845 -1.169 . . . . 73.34 107.845 170.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.8 mt -85.93 143.77 10.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 104.519 -2.4 . . . . 61.13 104.519 157.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.458 HD11 ' HB3' ' A' ' 85' ' ' ALA . 4.5 mp -121.96 153.21 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 125.629 1.572 . . . . 74.21 107.124 175.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.7 mt -118.77 154.19 33.22 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.385 -0.968 . . . . 71.43 108.385 172.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.616 ' HB2' ' HB2' ' A' ' 81' ' ' ASN . 5.9 mtp-105 -135.32 165.6 25.08 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.063 0.945 . . . . 73.32 109.43 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 63.4 t30 64.46 41.4 5.67 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.113 1.365 . . . . 72.32 111.431 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.29 123.57 28.62 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 104.902 -2.259 . . . . 64.11 104.902 174.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -64.88 157.07 77.34 Favored Pre-proline 0 C--O 1.238 0.472 0 N-CA-C 108.302 -0.999 . . . . 64.24 108.302 171.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -70.42 -32.92 14.99 Favored 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 121.621 1.547 . . . . 75.51 110.382 -173.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -70.84 -16.86 62.74 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 125.412 1.485 . . . . 64.54 113.918 176.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.0 m -65.75 158.36 27.79 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.158 -0.682 . . . . 71.4 109.158 -177.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 p -135.32 158.74 43.6 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 104.628 -2.36 . . . . 71.44 104.628 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.9 ttp -57.18 -50.93 71.3 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 106.502 -1.666 . . . . 72.23 106.502 175.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -69.29 -37.6 77.91 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.795 0.838 . . . . 74.32 112.559 -172.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.82 -53.84 53.3 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 123.322 0.649 . . . . 74.34 110.083 171.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.1 mt -69.87 -34.49 60.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 108.294 -1.002 . . . . 70.43 108.294 -177.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.5 mt -62.09 -34.52 76.45 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 117.87 -1.062 . . . . 72.44 111.668 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.07 -25.62 40.0 Favored Glycine 0 CA--C 1.523 0.582 0 CA-C-O 118.974 -0.903 . . . . 71.14 113.437 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -110.58 -16.77 13.57 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 118.479 1.139 . . . . 74.45 113.839 -167.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.4 tp -110.75 40.17 2.07 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.932 1.293 . . . . 74.31 108.41 173.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.81 53.59 7.47 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 113.382 0.882 . . . . 71.24 113.382 -174.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.407 ' HG2' ' CD2' ' A' ' 27' ' ' TYR . 63.9 Cg_endo -71.96 -33.2 10.13 Favored 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 121.264 1.309 . . . . 63.12 111.699 166.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.407 ' CD2' ' HG2' ' A' ' 26' ' ' PRO . 22.8 m-85 -122.73 -23.94 4.98 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.062 0.945 . . . . 65.23 112.477 -166.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -135.67 117.79 15.44 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 119.121 0.873 . . . . 63.04 109.392 168.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.2 t -98.64 89.02 1.76 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 N-CA-C 105.841 -1.911 . . . . 64.02 105.841 172.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.0 mt -68.95 169.86 10.85 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 108.76 -0.829 . . . . 73.35 108.76 -177.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.7 m -98.0 158.39 15.57 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 120.879 -1.138 . . . . 61.04 109.511 165.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.7 m -60.22 -29.71 68.91 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.303 -0.873 . . . . 70.22 112.675 174.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.4 m -62.92 -26.78 68.96 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 119.3 0.955 . . . . 71.14 112.635 174.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -75.5 -26.82 58.46 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 119.273 0.942 . . . . 54.13 111.185 177.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.3 t -109.59 108.11 24.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 118.957 0.799 . . . . 73.22 110.675 -158.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.94 113.85 26.23 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 124.434 1.093 . . . . 74.43 108.846 178.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.0 t -117.43 110.7 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 106.487 -1.671 . . . . 63.31 106.487 174.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.1 mt -75.32 129.02 37.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 N-CA-C 107.631 -1.248 . . . . 62.5 107.631 175.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -111.23 146.51 36.82 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 126.417 1.887 . . . . 54.23 109.159 173.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -74.87 -178.51 3.76 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.175 0.59 . . . . 54.2 111.13 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -123.69 -25.92 4.24 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.858 1.263 . . . . 74.53 112.082 173.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.83 -56.54 3.43 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 107.06 -1.459 . . . . 74.34 107.06 173.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.6 p -78.52 -22.39 47.4 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 117.946 0.339 . . . . 74.13 110.816 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 57.38 13.45 1.78 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 128.89 2.876 . . . . 75.24 114.778 -169.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.9 mt -107.01 167.17 10.08 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 120.43 1.468 . . . . 52.13 110.213 -173.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.64 155.46 33.27 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.186 -0.946 . . . . 63.2 110.554 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -68.61 -13.2 62.19 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.852 1.056 . . . . 75.21 113.852 171.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.1 13.3 31.71 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 124.165 0.888 . . . . 61.42 114.274 170.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -142.4 173.28 11.67 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 127.501 2.32 . . . . 73.33 107.336 171.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -149.82 164.62 34.85 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 107.954 -1.128 . . . . 62.02 107.954 173.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -123.26 152.23 41.56 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.283 1.433 . . . . 75.15 107.206 176.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 51.5 mt -133.41 114.22 20.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 128.084 2.554 . . . . 63.23 104.762 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.36 107.04 17.82 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 104.365 -2.458 . . . . 74.43 104.365 -177.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 mt -109.9 -170.71 1.7 Allowed 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.334 1.054 . . . . 61.35 109.179 -175.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.82 160.18 32.25 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.481 -0.762 . . . . 62.22 110.046 158.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.8 p -54.65 -60.51 3.26 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 124.406 1.083 . . . . 53.42 110.261 176.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.9 mt -60.33 -47.78 90.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 124.921 1.289 . . . . 63.41 109.224 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -62.41 -44.96 95.19 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 118.706 0.685 . . . . 65.11 111.74 -172.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.87 -50.98 70.84 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.873 0.869 . . . . 72.42 109.029 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.42 -58.4 8.19 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 118.758 -0.639 . . . . 55.53 110.566 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -51.57 -60.22 3.39 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 125.777 1.631 . . . . 75.23 111.356 -174.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -55.7 -44.85 77.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.418 0.687 . . . . 71.24 109.622 -177.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.96 -36.27 83.41 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 118.996 -0.526 . . . . 64.12 111.511 -177.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -57.53 -45.27 85.24 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 108.826 -0.805 . . . . 73.05 108.826 177.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.5 mt -62.44 -48.81 86.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 N-CA-C 107.873 -1.158 . . . . 70.15 107.873 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.1 mt -58.23 -14.39 7.04 Favored 'General case' 0 C--N 1.342 0.241 0 N-CA-C 114.653 1.353 . . . . 63.22 114.653 177.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -110.5 14.48 22.5 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.243 0.929 . . . . 54.51 112.406 173.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -123.69 -14.85 7.17 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 126.56 1.944 . . . . 71.34 113.356 177.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.407 HD12 ' H ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -112.95 -170.22 1.63 Allowed 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 114.825 1.417 . . . . 74.31 114.825 -155.868 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.3 144.22 88.09 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 125.683 1.593 . . . . 52.32 111.784 171.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -71.41 154.7 60.74 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.635 2.223 . . . . 63.35 111.977 -168.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -66.55 134.89 37.1 Favored 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 122.595 2.196 . . . . 71.13 112.762 -167.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -68.62 119.34 12.9 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 127.458 2.303 . . . . 72.35 109.121 -175.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 t -82.48 145.9 29.55 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 109.054 -0.721 . . . . 72.44 109.054 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -130.27 14.16 2.23 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 122.843 0.457 . . . . 62.12 110.833 -174.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -168.54 37.07 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.921 1.288 . . . . 74.3 109.156 171.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.05 13.94 54.55 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 125.017 1.294 . . . . 62.32 114.768 -175.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.53 111.21 22.94 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 126.769 2.028 . . . . 71.43 108.647 175.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.43 110.05 6.56 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.206 -1.035 . . . . 72.03 108.206 174.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.9 mm -61.5 138.47 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 126.121 1.768 . . . . 64.15 108.192 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.616 ' HB2' ' HB2' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -93.36 164.12 13.34 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.285 1.834 . . . . 54.41 108.736 170.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.6 t -124.38 143.95 35.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 125.278 1.431 . . . . 74.14 107.216 170.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -130.78 165.04 23.83 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 126.167 1.787 . . . . 75.02 108.657 166.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -137.13 84.04 2.04 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 124.664 1.185 . . . . 73.41 110.468 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.458 ' HB3' HD11 ' A' ' 7' ' ' ILE . . . -89.99 61.39 5.24 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 108.983 -0.747 . . . . 75.41 108.983 176.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.56 93.19 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.433 1.093 . . . . 60.02 108.27 175.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.45 85.87 0.25 Allowed Glycine 0 C--N 1.335 0.496 0 N-CA-C 108.767 -1.733 . . . . 75.24 108.767 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.7 m . . . . . 0 C--O 1.252 1.214 0 C-N-CA 123.89 0.876 . . . . 73.41 109.992 -169.085 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.696 0 N-CA-C 111.164 -0.774 . . . . 70.41 111.164 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -154.81 142.4 19.77 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 126.599 1.96 . . . . 54.23 106.243 166.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -117.72 112.92 21.1 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 107.976 -1.12 . . . . 70.23 107.976 -174.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 59.53 85.97 0.1 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 127.344 2.258 . . . . 74.4 110.874 171.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 m -121.56 106.51 11.44 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.353 1.461 . . . . 71.0 107.223 -169.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.6 mt -78.74 129.49 37.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 105.537 -2.023 . . . . 73.02 105.537 174.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.4 mt -107.2 140.89 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 106.672 -1.603 . . . . 73.34 106.672 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.0 mt -107.73 155.1 20.56 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 108.882 -0.785 . . . . 70.12 108.882 165.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.441 ' HB2' ' HB2' ' A' ' 81' ' ' ASN . 5.0 mtt180 -139.55 171.21 14.57 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 127.524 2.33 . . . . 73.41 109.143 -170.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 66.5 t30 53.11 34.62 17.7 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.408 1.483 . . . . 74.22 110.33 -176.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.7 mt -77.61 112.96 14.96 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 106.233 -1.766 . . . . 72.1 106.233 176.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.477 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 1.0 OUTLIER -59.91 144.85 85.53 Favored Pre-proline 0 CA--C 1.515 -0.387 0 N-CA-C 106.253 -1.758 . . . . 63.21 106.253 -179.535 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.488 ' HB2' HD13 ' A' ' 45' ' ' LEU . 35.1 Cg_endo -62.83 -30.27 77.45 Favored 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 121.609 1.54 . . . . 63.4 112.286 -175.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -74.82 -14.89 60.74 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 113.811 1.041 . . . . 73.2 113.811 175.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.0 m -76.54 160.25 29.63 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 121.377 -0.827 . . . . 73.13 109.335 172.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.13 172.87 12.39 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 127.053 2.141 . . . . 74.4 107.535 159.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -55.7 -32.72 63.55 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-O 118.371 -0.823 . . . . 75.32 109.552 170.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.82 -28.59 69.96 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 119.204 0.911 . . . . 62.54 110.625 -174.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.5 m -78.46 -58.77 3.08 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.02 0.928 . . . . 64.41 109.11 172.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.8 mt -59.01 -43.87 89.91 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.464 0 C-N-CA 123.781 0.832 . . . . 73.44 110.048 -171.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.1 mt -70.88 -14.77 62.51 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 124.154 0.982 . . . . 63.53 113.529 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.66 -17.88 50.39 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 118.93 -0.928 . . . . 32.55 112.815 176.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.72 -14.19 4.11 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.751 1.221 . . . . 41.22 113.339 -168.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.18 30.69 4.98 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 126.103 1.761 . . . . 71.51 109.503 -178.246 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -122.24 55.05 6.03 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 124.141 0.976 . . . . 53.31 112.777 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.504 ' HG2' ' CD1' ' A' ' 27' ' ' TYR . 84.3 Cg_endo -79.29 -24.64 6.42 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 122.222 1.948 . . . . 71.41 112.172 165.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.504 ' CD1' ' HG2' ' A' ' 26' ' ' PRO . 62.4 m-85 -122.09 -51.99 1.98 Allowed 'General case' 0 C--N 1.344 0.363 0 C-N-CA 124.529 1.132 . . . . 74.42 111.496 -169.265 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.86 117.81 35.08 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 107.648 -1.242 . . . . 44.23 107.648 175.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.8 t -130.85 77.04 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 107.307 -1.368 . . . . 75.21 107.307 -161.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -77.52 160.82 28.37 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.652 -0.704 . . . . 64.24 111.735 -168.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.98 24.46 1.29 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.599 1.96 . . . . 73.41 111.069 178.086 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.3 m 61.65 -49.43 0.14 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.589 2.356 . . . . 75.34 115.782 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 p -58.6 -26.45 63.68 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 121.468 1.94 . . . . 73.11 111.972 175.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -60.69 -24.68 65.82 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-O 118.249 -0.881 . . . . 73.43 111.514 174.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.6 t -104.97 94.55 3.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 C-N-CA 124.922 1.289 . . . . 64.4 108.89 -166.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.46 86.58 0.11 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.307 1.443 . . . . 73.3 110.174 174.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.9 t -92.63 89.57 2.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 126.123 1.769 . . . . 64.34 107.07 169.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.505 HD12 ' H ' ' A' ' 38' ' ' ILE . 0.6 OUTLIER -72.08 121.78 23.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 N-CA-C 107.61 -1.255 . . . . 72.14 107.61 175.658 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.28 155.26 36.86 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 120.707 -0.397 . . . . 73.2 110.816 170.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -70.58 165.78 22.03 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.774 1.229 . . . . 71.12 110.123 165.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -113.87 14.25 18.54 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 114.049 1.129 . . . . 74.21 114.049 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -127.75 -51.43 1.35 Allowed 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 119.138 0.881 . . . . 71.31 108.74 170.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.593 ' HB ' HD12 ' A' ' 45' ' ' LEU . 82.1 p -77.04 -19.66 56.9 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.855 0.317 . . . . 62.15 111.855 -176.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 62.47 15.72 8.05 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.755 2.022 . . . . 74.21 113.107 -171.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.593 HD12 ' HB ' ' A' ' 43' ' ' THR . 12.5 mt -94.54 -169.16 1.98 Allowed 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 125.641 1.576 . . . . 62.54 109.292 178.03 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -96.65 164.57 12.53 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.114 0.87 . . . . 74.42 110.146 175.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -83.3 13.5 4.25 Favored 'General case' 0 CA--C 1.555 1.172 0 N-CA-C 114.068 1.136 . . . . 74.2 114.068 -170.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.84 13.16 65.89 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 128.072 2.749 . . . . 71.43 116.294 -176.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -150.94 167.48 27.45 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 120.819 -1.4 . . . . 71.13 108.638 167.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.25 155.66 35.61 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 123.943 0.897 . . . . 63.41 109.436 173.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -116.94 120.43 38.4 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 125.679 1.592 . . . . 74.12 108.013 -169.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.1 mt -82.18 141.42 15.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 C-N-CA 125.222 1.409 . . . . 24.02 107.717 167.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -129.59 79.39 1.91 Allowed 'General case' 0 C--O 1.239 0.551 0 C-N-CA 125.545 1.538 . . . . 74.03 107.24 170.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.0 mt -71.47 177.2 4.13 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.894 1.278 . . . . 75.21 109.768 165.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.12 155.25 3.71 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 108.608 -0.886 . . . . 73.31 108.608 159.014 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.8 p -58.02 -52.83 63.89 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.529 0.68 . . . . 74.31 111.429 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.6 mm -69.99 -40.58 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 122.926 0.491 . . . . 70.4 109.728 -176.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.96 -52.87 63.71 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.827 -0.805 . . . . 74.03 108.827 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.13 -53.28 28.63 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.591 1.156 . . . . 50.14 110.598 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.79 -39.96 95.5 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 112.703 0.631 . . . . 51.53 112.703 -175.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -66.09 -58.97 4.27 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.336 1.055 . . . . 74.3 109.315 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.485 HD12 ' CD2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -59.5 -41.98 91.13 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.258 1.023 . . . . 74.41 110.117 -171.186 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.3 tp -53.15 -45.91 68.62 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 121.913 -0.492 . . . . 72.13 110.722 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -69.59 -24.03 63.61 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 118.196 0.453 . . . . 64.0 111.963 -173.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.66 -60.29 2.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 106.51 -1.663 . . . . 70.1 106.51 164.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.485 ' CD2' HD12 ' A' ' 62' ' ' LEU . 2.8 mm? -60.47 -17.28 43.95 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 114.575 1.324 . . . . 64.14 114.575 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -100.68 13.34 35.13 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.397 0.999 . . . . 72.3 112.295 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -154.38 -14.43 0.13 Allowed 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 114.709 1.374 . . . . 64.01 114.709 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -162.7 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.709 2.004 . . . . 62.44 113.645 175.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -65.68 145.86 99.01 Favored Pre-proline 0 CA--C 1.54 0.573 0 N-CA-C 113.245 0.832 . . . . 63.11 113.245 169.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -66.71 160.99 43.77 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 123.266 2.644 . . . . 72.13 112.239 -170.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -67.33 158.71 55.7 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.548 2.165 . . . . 74.32 112.481 -174.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.2 tt -112.76 122.96 49.2 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 126.179 1.791 . . . . 72.51 107.896 -168.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.5 t -77.22 141.9 39.82 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.438 0.695 . . . . 42.32 110.347 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -130.14 14.47 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 124.607 1.163 . . . . 44.32 110.529 -178.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -167.7 24.65 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.6 1.16 . . . . 65.4 110.673 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.93 24.84 76.7 Favored Glycine 0 CA--C 1.532 1.109 0 O-C-N 121.297 -0.877 . . . . 73.33 114.851 -174.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.477 ' HE3' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -125.58 119.98 29.58 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 126.726 2.01 . . . . 71.43 109.741 174.264 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.7 m -78.05 116.1 18.27 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 119.58 1.082 . . . . 74.44 108.463 172.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.4 mm -58.91 160.45 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 124.025 0.93 . . . . 71.14 109.7 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.441 ' HB2' ' HB2' ' A' ' 9' ' ' ARG . 1.0 OUTLIER -126.27 155.56 41.71 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 125.298 1.439 . . . . 73.22 107.799 171.6 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.3 t -119.95 144.62 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 C-N-CA 125.496 1.518 . . . . 62.23 107.96 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -141.5 169.91 16.7 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 127.644 2.377 . . . . 73.41 107.623 176.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -126.09 158.42 35.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 106.351 -1.722 . . . . 74.41 106.351 169.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -145.92 73.56 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 105.984 -1.858 . . . . 72.24 105.984 168.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.3 96.1 9.41 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 106.729 -1.582 . . . . 70.23 106.729 -176.053 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.0 82.91 0.96 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 109.634 -1.386 . . . . 44.52 109.634 176.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.4 m . . . . . 0 C--O 1.246 0.891 0 CA-C-O 117.751 -1.119 . . . . 72.1 108.256 162.605 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.039 0 CA-C-O 119.139 -0.812 . . . . 73.23 111.29 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -70.28 65.67 0.28 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.751 2.02 . . . . 63.21 111.003 -177.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 55.8 mtt -61.61 149.22 39.92 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.061 -1.024 . . . . 65.13 108.505 167.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 43.88 84.08 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 128.537 2.735 . . . . 74.04 110.92 165.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.8 m -117.67 109.09 16.22 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 111.144 -2.753 . . . . 64.02 107.971 176.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mt -74.77 126.65 35.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 106.05 -1.833 . . . . 74.33 106.05 163.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.41 HD11 ' HB2' ' A' ' 85' ' ' ALA . 14.6 mt -98.79 135.89 31.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 N-CA-C 107.194 -1.41 . . . . 74.04 107.194 172.278 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.4 mt -87.99 160.03 18.05 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.707 0.803 . . . . 72.44 109.978 168.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -137.16 172.7 12.61 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.368 -0.832 . . . . 62.12 109.485 170.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 62.7 t30 58.39 46.01 15.94 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 125.761 1.624 . . . . 64.14 111.513 176.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 43.3 mt -85.6 119.44 25.94 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 106.859 -1.534 . . . . 73.22 106.859 171.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.485 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 5.2 m-20 -62.48 158.44 49.12 Favored Pre-proline 0 C--O 1.236 0.379 0 N-CA-C 108.817 -0.808 . . . . 74.12 108.817 163.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.477 ' HB2' HD22 ' A' ' 45' ' ' LEU . 33.3 Cg_endo -82.22 -15.64 8.87 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 124.211 3.274 . . . . 74.11 112.703 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.84 -14.21 61.46 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.364 1.866 . . . . 65.12 112.076 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.2 m -108.42 154.35 22.0 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.257 1.423 . . . . 74.13 108.007 165.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.1 t -123.56 -57.82 1.63 Allowed 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 106.497 -1.668 . . . . 70.43 106.497 173.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 27.5 ttm -157.71 -56.38 0.08 Allowed 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 123.087 0.555 . . . . 63.2 110.557 -175.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.54 -23.06 66.17 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.314 1.046 . . . . 64.11 112.824 -173.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 t -95.21 24.76 4.73 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.305 1.842 . . . . 74.4 110.216 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mt -137.38 -48.69 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 124.908 1.283 . . . . 71.3 107.827 176.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -52.75 -44.32 66.37 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-O 118.777 -0.63 . . . . 73.32 112.45 -168.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.64 24.89 27.42 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 124.967 1.27 . . . . 73.01 112.698 -174.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.95 -40.32 0.44 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.994 1.317 . . . . 70.4 109.882 178.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.6 tp -81.29 19.4 0.96 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.818 1.647 . . . . 73.33 110.994 173.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.68 61.9 1.27 Allowed Pre-proline 0 CA--C 1.541 0.603 0 C-N-CA 124.243 1.017 . . . . 54.13 112.158 175.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -85.68 -18.13 3.91 Favored 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 123.155 2.57 . . . . 73.41 113.841 163.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.454 ' CE1' HD21 ' A' ' 69' ' ' LEU . 1.1 m-85 -124.15 -65.01 1.09 Allowed 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 121.214 1.824 . . . . 73.44 110.219 -177.08 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.89 114.52 28.78 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 125.585 1.554 . . . . 70.23 108.153 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.5 t -84.86 105.44 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 N-CA-C 106.908 -1.516 . . . . 72.1 106.908 173.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.6 mt -78.6 163.75 25.24 Favored 'General case' 0 N--CA 1.464 0.246 0 O-C-N 121.325 -0.86 . . . . 64.31 111.801 -177.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.74 24.45 10.57 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.373 1.069 . . . . 54.53 112.015 -177.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.4 t 73.07 -56.4 0.66 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.587 1.555 . . . . 71.31 113.007 164.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 p -60.71 -30.68 70.1 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.529 1.531 . . . . 72.4 111.927 174.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -51.05 -31.99 20.39 Favored 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 125.318 1.447 . . . . 72.41 110.533 171.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.5 t -94.81 101.53 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 C-N-CA 124.553 1.141 . . . . 64.42 108.495 -165.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.0 111.96 19.75 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 125.872 1.669 . . . . 70.21 108.591 170.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.8 t -113.36 102.2 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 127.462 2.305 . . . . 64.41 107.693 171.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 49.4 mt -62.97 138.66 22.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 107.282 -1.377 . . . . 54.22 107.282 164.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 46' ' ' ASN . 43.7 mttt -126.81 149.27 49.78 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 107.781 -1.192 . . . . 71.4 107.781 178.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -44.39 -86.77 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.555 1.542 . . . . 71.4 113.486 -177.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.6 mttp 172.41 -55.77 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 127.828 2.451 . . . . 64.2 105.461 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.9 -38.54 8.19 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 113.888 -1.506 . . . . 54.3 109.715 -166.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.5 p -77.98 -14.06 59.66 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 120.875 0.369 . . . . 63.13 111.961 -171.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 56.3 14.52 1.6 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 127.186 2.195 . . . . 73.13 113.262 -167.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.477 HD22 ' HB2' ' A' ' 13' ' ' PRO . 27.4 mt -89.93 179.5 5.95 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.989 1.716 . . . . 73.02 111.36 174.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.456 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 8.2 p30 -114.65 165.11 13.14 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.631 1.572 . . . . 72.14 110.916 -174.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -79.29 -14.8 58.79 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.04 1.336 . . . . 53.54 112.446 -175.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.4 12.93 34.38 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 125.526 1.536 . . . . 53.42 114.73 174.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -148.96 159.33 44.31 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 125.352 1.461 . . . . 63.11 108.136 173.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -139.28 165.65 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 123.945 0.898 . . . . 43.33 108.747 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -121.34 137.94 54.48 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.408 -1.701 . . . . 74.31 106.408 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.7 mt -139.82 122.1 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 127.21 2.204 . . . . 72.41 107.852 -172.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -128.9 152.13 48.88 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 119.079 0.854 . . . . 70.33 111.222 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.2 mt -137.13 -174.49 3.75 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.513 2.325 . . . . 71.31 109.254 -168.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.74 155.74 15.33 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.38 1.072 . . . . 73.23 109.795 165.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.1 p -61.93 -49.36 76.45 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.734 0.778 . . . . 71.42 112.742 -169.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 74.2 mt -67.29 -46.65 83.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 124.128 0.971 . . . . 63.22 109.816 174.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.08 -48.33 82.18 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 124.278 1.031 . . . . 73.43 110.959 -171.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.99 -58.76 4.79 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.943 1.297 . . . . 74.2 110.071 176.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.35 -41.58 96.69 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.875 0.87 . . . . 72.24 111.492 -174.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -58.74 -57.65 12.08 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.504 -0.747 . . . . 73.02 109.842 176.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.431 HD12 ' CD2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -62.24 -42.04 98.96 Favored 'General case' 0 N--CA 1.455 -0.208 0 O-C-N 123.644 0.59 . . . . 72.02 109.593 -173.868 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.7 tp -53.2 -44.32 67.87 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 122.676 0.391 . . . . 71.02 110.849 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -65.92 -28.3 68.83 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 117.842 0.292 . . . . 73.32 111.553 -176.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 74.5 mt -60.59 -55.6 23.37 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 N-CA-C 108.102 -1.073 . . . . 65.01 108.102 170.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.431 ' CD2' HD12 ' A' ' 62' ' ' LEU . 3.6 mm? -56.11 -16.04 4.55 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.482 1.113 . . . . 63.42 113.86 176.309 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -107.8 20.71 18.43 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.409 1.483 . . . . 71.03 111.967 178.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -139.98 -30.7 0.68 Allowed 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.755 1.222 . . . . 42.1 113.868 175.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.454 HD21 ' CE1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -92.97 -162.15 0.91 Allowed 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 114.029 1.122 . . . . 74.2 114.029 -164.635 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -76.89 152.04 82.43 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 126.961 2.104 . . . . 73.1 112.985 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.16 161.04 35.82 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 123.612 2.875 . . . . 72.13 113.391 -165.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -73.66 145.12 36.56 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 122.852 2.368 . . . . 64.21 113.032 -172.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.52 118.23 5.81 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 126.676 1.99 . . . . 71.0 109.331 168.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.17 150.34 31.72 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 124.346 1.058 . . . . 73.32 108.289 170.575 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.69 14.16 4.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 124.125 0.97 . . . . 70.1 110.91 -176.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -174.53 34.52 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.901 1.28 . . . . 65.1 110.464 -177.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.2 14.84 55.27 Favored Glycine 0 CA--C 1.538 1.484 0 O-C-N 120.303 -1.498 . . . . 33.34 114.896 -174.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.485 ' HE3' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -111.28 110.95 21.68 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 126.507 1.923 . . . . 64.31 109.911 172.348 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.58 119.65 19.07 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.055 -0.72 . . . . 65.24 109.055 172.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 22.9 mm -69.19 150.59 10.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 123.637 0.775 . . . . 72.24 109.775 -177.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.44 172.38 6.92 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.017 0.927 . . . . 61.43 112.115 174.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.0 t -126.58 152.77 34.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 125.894 1.678 . . . . 50.51 107.807 -174.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -155.64 172.72 17.82 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 127.808 2.443 . . . . 71.42 107.339 171.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -140.86 92.8 2.53 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 123.353 0.661 . . . . 73.42 109.238 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.41 ' HB2' HD11 ' A' ' 7' ' ' ILE . . . -82.47 68.97 9.13 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 122.348 1.07 . . . . 65.2 108.294 168.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -73.87 83.28 1.68 Allowed 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 106.544 -1.65 . . . . 72.3 106.544 167.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.24 -77.74 0.27 Allowed Glycine 0 C--N 1.335 0.474 0 N-CA-C 107.832 -2.107 . . . . 73.24 107.832 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.044 0 C-N-CA 125.344 1.458 . . . . 63.14 113.086 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.881 0 CA-C-O 118.93 -0.928 . . . . 63.31 111.32 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 51.63 44.14 29.36 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.767 1.627 . . . . 74.2 113.428 -176.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.09 162.67 13.84 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.897 1.679 . . . . 61.43 107.432 162.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.272 0.0 OUTLIER 43.03 84.03 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.794 0 C-N-CA 128.384 2.674 . . . . 61.04 111.884 160.365 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.5 m -138.87 123.49 18.52 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 112.456 -2.156 . . . . 63.41 107.814 -172.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.9 mt -95.79 110.49 24.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 N-CA-C 105.033 -2.21 . . . . 70.0 105.033 175.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.0 mp -85.71 156.28 3.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.55 -0.907 . . . . 75.1 108.55 173.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.8 mp -122.93 156.08 35.42 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 125.645 1.578 . . . . 64.44 107.254 174.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -140.76 171.53 13.97 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.33 0.968 . . . . 64.54 109.928 175.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.3 t30 61.41 37.39 16.83 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.49 1.516 . . . . 72.42 111.776 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.84 131.25 39.6 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 105.067 -2.197 . . . . 73.54 105.067 169.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.45 ' HB2' ' HE2' ' A' ' 78' ' ' LYS . 1.4 m-20 -70.26 146.73 94.84 Favored Pre-proline 0 N--CA 1.471 0.594 0 CA-C-O 116.901 -1.524 . . . . 70.14 107.437 172.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -62.61 -18.69 65.06 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 123.46 2.773 . . . . 65.14 113.274 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -60.66 -39.19 87.47 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.497 1.119 . . . . 73.32 112.599 173.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.1 p -70.66 158.68 35.79 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.045 0.384 . . . . 72.22 111.824 -170.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.0 p -107.23 -86.13 0.5 Allowed 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 107.603 -1.258 . . . . 65.52 107.603 166.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 37.6 ttp -161.13 -68.48 0.06 Allowed 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 106.476 -1.676 . . . . 62.32 106.476 -164.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.46 -29.58 70.27 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 118.067 0.394 . . . . 72.12 111.019 -174.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 p -64.73 -24.41 67.56 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.259 1.823 . . . . 65.53 113.457 172.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.4 mt -85.9 -47.28 16.66 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.271 0 C-N-CA 124.701 1.2 . . . . 73.53 109.119 171.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.83 -36.39 64.96 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 119.087 0.858 . . . . 70.24 110.776 -175.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.82 -14.18 64.98 Favored Glycine 0 CA--C 1.534 1.233 0 CA-C-O 117.941 -1.477 . . . . 71.5 115.088 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.59 14.95 2.54 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.868 1.834 . . . . 63.23 113.392 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 tp -131.76 21.22 4.61 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.163 0.985 . . . . 73.54 111.107 172.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.435 ' HB1' HG22 ' A' ' 29' ' ' VAL . . . -126.87 58.88 31.63 Favored Pre-proline 0 CA--C 1.541 0.603 0 O-C-N 120.598 -1.314 . . . . 71.12 112.273 -174.102 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.92 -37.78 2.64 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 122.278 1.985 . . . . 73.31 113.306 178.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -123.98 -25.26 4.25 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.906 0.776 . . . . 74.03 112.737 -171.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.67 109.03 10.97 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 108.291 -1.003 . . . . 70.41 108.291 172.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.435 HG22 ' HB1' ' A' ' 25' ' ' ALA . 44.5 t -97.21 108.69 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 107.294 -1.373 . . . . 74.24 107.294 171.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -80.87 161.46 24.4 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 122.872 0.469 . . . . 72.54 110.093 172.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 t -74.05 36.47 0.1 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.001 1.721 . . . . 74.33 112.666 176.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t 59.97 -73.72 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.471 1.908 . . . . 70.14 111.929 -172.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.7 t -55.7 -28.53 56.19 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 126.487 1.915 . . . . 73.14 113.984 -172.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -54.4 -29.41 48.86 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 124.361 1.064 . . . . 71.22 111.357 172.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.2 t -81.39 93.68 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 C-N-CA 125.413 1.485 . . . . 72.24 108.281 168.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.05 114.33 2.53 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 120.819 -1.175 . . . . 72.11 108.819 166.195 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.0 t -112.68 126.83 70.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 125.082 1.353 . . . . 75.51 107.894 164.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.9 mt -87.25 127.74 40.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 N-CA-C 106.118 -1.808 . . . . 73.12 106.118 165.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -98.81 147.24 25.12 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 106.703 -1.591 . . . . 64.43 106.703 166.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.98 -24.73 67.83 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.461 0.648 . . . . 74.53 110.583 175.383 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt 74.55 -56.99 0.62 Allowed 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 129.09 2.956 . . . . 63.54 111.42 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -61.77 -36.42 80.99 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 119.511 1.05 . . . . 74.23 111.483 -172.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.5 p -94.28 -12.84 27.29 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 126.035 1.734 . . . . 55.0 111.88 -176.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 70.92 -15.15 0.41 Allowed 'General case' 0 C--N 1.344 0.358 0 C-N-CA 128.628 2.771 . . . . 73.41 114.318 -163.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.1 mt -69.68 172.01 8.15 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 124.288 1.035 . . . . 72.12 110.835 -173.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -101.25 170.13 8.45 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.434 1.093 . . . . 63.12 112.051 170.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -90.49 -14.04 33.52 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.784 0.834 . . . . 75.43 112.612 -176.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.0 13.8 22.51 Favored Glycine 0 CA--C 1.528 0.845 0 CA-C-N 118.955 0.798 . . . . 74.21 113.886 164.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -149.71 170.13 19.42 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 126.602 1.961 . . . . 63.12 107.448 177.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.31 173.42 16.19 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.283 -0.885 . . . . 55.21 108.949 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -139.75 104.89 5.01 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 124.336 1.054 . . . . 74.23 108.303 -172.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.8 mt -70.35 141.78 16.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 120.02 1.282 . . . . 74.34 109.769 165.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -116.23 137.7 51.92 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 107.837 -1.171 . . . . 75.3 107.837 162.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.5 mt -142.17 173.51 11.45 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.44 1.896 . . . . 73.24 108.393 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.15 157.77 2.48 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.98 0.912 . . . . 63.33 110.24 167.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 m -57.42 -57.39 12.87 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.018 0.927 . . . . 63.41 110.852 -171.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.2 mt -70.28 -41.68 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-O 118.335 -0.841 . . . . 72.41 110.317 177.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -57.78 -49.8 75.39 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 119.444 1.02 . . . . 72.31 111.639 -176.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.29 -55.11 11.45 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.151 0.981 . . . . 74.02 109.952 174.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.4 -39.45 85.55 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 112.998 0.74 . . . . 65.21 112.998 -175.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -64.66 -62.25 1.7 Allowed 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 124.108 0.963 . . . . 63.21 109.166 178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -39.52 75.3 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.967 0.907 . . . . 74.03 109.704 -170.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 tp -52.19 -49.5 63.75 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 119.279 -0.391 . . . . 70.21 110.658 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -61.64 -31.4 71.49 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.367 0.667 . . . . 70.34 111.287 -176.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.6 mt -59.98 -59.01 4.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 106.92 -1.511 . . . . 73.32 106.92 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -58.0 -32.18 67.66 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.185 0.994 . . . . 71.33 111.92 176.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -81.02 13.59 2.66 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.881 0.872 . . . . 71.34 112.842 -177.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -136.06 -37.82 0.71 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.66 1.184 . . . . 71.12 112.3 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 pp -74.38 -175.03 2.19 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.562 0.619 . . . . 74.35 111.076 171.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -48.26 160.73 0.41 Allowed Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 126.241 1.816 . . . . 65.44 112.985 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -65.6 168.34 15.06 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.392 2.061 . . . . 44.21 113.312 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.51 167.78 26.12 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.406 2.737 . . . . 52.52 112.84 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.451 HD23 ' H ' ' A' ' 74' ' ' THR . 0.2 OUTLIER -84.81 -179.09 7.02 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 127.46 2.304 . . . . 72.32 111.031 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.451 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -143.18 160.7 39.94 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 128.734 2.814 . . . . 74.13 105.38 176.287 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.2 mp -134.64 12.59 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 C-N-CA 123.553 0.741 . . . . 54.32 110.163 174.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.504 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 0.6 OUTLIER -174.87 34.67 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 O-C-N 120.459 -1.401 . . . . 72.2 109.571 -165.298 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.12 14.65 47.61 Favored Glycine 0 CA--C 1.535 1.334 0 O-C-N 120.764 -1.21 . . . . 44.13 115.433 -177.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.504 ' HE3' ' HB2' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -112.27 99.81 8.32 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 126.83 2.052 . . . . 72.12 110.214 177.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 m -63.96 116.03 5.46 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.354 -0.98 . . . . 63.51 108.354 174.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.7 mm -62.37 157.51 3.69 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 N-CA-C 108.439 -0.948 . . . . 61.4 108.439 -178.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -116.51 162.89 16.9 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 123.501 0.72 . . . . 52.33 109.781 168.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 23.2 t -124.67 143.53 37.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 125.735 1.614 . . . . 71.42 106.69 -176.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -142.26 167.08 22.96 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 125.87 1.668 . . . . 73.31 108.85 177.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -146.91 99.32 3.17 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 124.153 0.981 . . . . 72.22 110.207 -174.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.34 78.73 1.77 Allowed 'General case' 0 C--O 1.237 0.417 0 N-CA-C 107.257 -1.386 . . . . 52.13 107.257 174.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -87.06 96.88 10.45 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 107.957 -1.127 . . . . 71.1 107.957 -176.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -51.95 104.81 0.18 Allowed Glycine 0 CA--C 1.527 0.785 0 N-CA-C 109.809 -1.316 . . . . 52.21 109.809 163.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.253 1.272 0 N-CA-C 104.859 -2.274 . . . . 62.4 104.859 161.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.341 0 N-CA-C 109.284 -1.527 . . . . 60.2 109.284 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -141.77 -60.04 0.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 107.321 -1.363 . . . . 61.43 107.321 172.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.27 24.7 ptp 53.42 -164.29 0.09 Allowed 'General case' 0 CA--C 1.541 0.611 0 O-C-N 124.543 1.152 . . . . 75.4 110.924 175.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 50.97 89.56 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 128.114 2.566 . . . . 61.22 114.033 161.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -120.96 138.2 54.25 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 113.871 -1.513 . . . . 71.12 107.874 175.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.3 mt -115.52 116.8 53.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 105.001 -2.222 . . . . 64.44 105.001 170.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.1 mt -99.22 135.51 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 106.707 -1.59 . . . . 74.23 106.707 -175.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.6 mt -104.76 155.71 18.65 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 124.0 0.92 . . . . 73.43 109.403 174.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.43 HH11 ' HB3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -140.45 179.78 6.47 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.345 1.458 . . . . 74.13 107.903 170.163 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.0 t30 53.57 39.66 30.38 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 125.1 1.36 . . . . 71.4 111.701 -174.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 49' ' ' PHE . 0.8 OUTLIER -73.27 130.16 39.6 Favored 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 104.377 -2.453 . . . . 72.34 104.377 162.852 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.417 ' H ' ' HG3' ' A' ' 78' ' ' LYS . 4.1 m-20 -68.35 146.7 98.03 Favored Pre-proline 0 C--O 1.241 0.655 0 N-CA-C 106.052 -1.832 . . . . 54.0 106.052 164.435 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -73.28 -20.92 20.66 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 122.641 2.228 . . . . 74.54 112.067 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -78.79 13.56 1.65 Allowed 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.174 0.897 . . . . 62.5 112.934 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -122.46 177.9 5.2 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.293 1.837 . . . . 64.44 111.21 170.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.55 -85.87 0.57 Allowed 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.232 1.413 . . . . 73.54 108.174 -177.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.1 ptp -156.68 -50.74 0.08 Allowed 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 119.656 1.116 . . . . 74.1 109.218 174.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -56.49 -33.53 66.08 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.297 1.039 . . . . 61.54 110.201 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -30.65 68.32 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.955 2.102 . . . . 52.21 113.197 177.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.463 HG23 HD13 ' A' ' 75' ' ' ILE . 70.1 mt -100.97 -51.65 9.34 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 C-N-CA 127.706 2.403 . . . . 73.54 107.478 -171.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.412 HD22 ' HB2' ' A' ' 30' ' ' LEU . 42.1 mt -51.0 -37.04 42.64 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 125.649 1.58 . . . . 75.23 112.275 -175.119 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.79 -13.94 72.42 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-O 118.559 -1.134 . . . . 40.43 114.104 -178.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -133.52 14.08 4.1 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.746 1.273 . . . . 71.22 111.607 178.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.4 tp -122.65 30.92 6.27 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 124.78 1.232 . . . . 75.2 107.778 174.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.28 54.42 8.21 Favored Pre-proline 0 CA--C 1.536 0.405 0 C-N-CA 124.418 1.087 . . . . 74.14 113.032 -176.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -71.78 -18.25 28.57 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 121.803 1.668 . . . . 64.5 113.536 173.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -142.06 -24.04 0.68 Allowed 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 120.099 1.318 . . . . 75.41 113.915 -175.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -134.7 138.87 44.78 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 125.028 1.331 . . . . 73.43 107.455 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 t -129.06 94.99 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 105.888 -1.893 . . . . 72.34 105.888 -168.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.412 ' HB2' HD22 ' A' ' 21' ' ' LEU . 40.5 mt -89.04 160.18 17.21 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.954 0.902 . . . . 75.4 110.834 -165.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 m -98.68 23.54 8.57 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.521 -0.737 . . . . 54.5 112.758 -166.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 m 58.18 -45.8 0.05 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 127.585 2.354 . . . . 75.14 115.122 -167.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 p -58.56 -29.65 66.54 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 120.785 1.629 . . . . 74.41 111.95 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -57.74 -23.72 53.39 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 125.554 1.542 . . . . 74.3 112.65 173.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.6 t -108.86 99.09 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 123.909 0.884 . . . . 72.14 109.141 -164.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -64.38 104.24 0.75 Allowed 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.798 0.839 . . . . 75.43 109.692 172.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.3 t -110.75 91.45 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.12 0 C-N-CA 126.465 1.906 . . . . 54.21 108.044 172.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.9 mt -65.46 144.95 14.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 N-CA-C 106.377 -1.712 . . . . 72.45 106.377 164.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -123.03 159.46 28.37 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 124.328 1.051 . . . . 75.25 109.657 169.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.32 161.34 25.26 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.833 -1.076 . . . . 74.43 109.949 174.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -96.18 -19.9 19.0 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.353 0.871 . . . . 75.12 113.353 176.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -102.88 -36.52 8.2 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 117.972 -1.013 . . . . 54.41 108.938 -165.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.47 HG23 ' H ' ' A' ' 45' ' ' LEU . 13.7 t -103.43 -14.49 16.22 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 118.547 0.612 . . . . 64.45 111.419 173.267 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.6 mm-40 70.49 -12.73 0.51 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.253 1.421 . . . . 75.52 114.084 -168.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.47 ' H ' HG23 ' A' ' 43' ' ' THR . 84.9 mt -56.44 150.67 14.61 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 120.146 1.339 . . . . 63.13 111.739 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.448 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 8.8 p30 -63.54 160.95 15.49 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 108.918 -0.771 . . . . 61.11 108.918 170.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -76.26 -12.83 60.15 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.545 1.313 . . . . 73.43 114.545 -171.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.76 13.3 44.21 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 125.954 1.74 . . . . 71.4 112.641 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.463 ' HA ' HD23 ' A' ' 11' ' ' LEU . 21.7 p90 -152.69 165.75 34.3 Favored 'General case' 0 C--O 1.241 0.654 0 C-N-CA 125.948 1.699 . . . . 75.24 108.562 177.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -151.61 167.99 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 124.116 0.966 . . . . 75.12 109.497 175.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -131.62 108.05 9.25 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 106.943 -1.503 . . . . 72.12 106.943 -176.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.3 mt -73.43 133.46 31.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 N-CA-C 107.107 -1.442 . . . . 75.3 107.107 169.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -113.88 91.0 3.49 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 104.582 -2.377 . . . . 72.12 104.582 163.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.1 mt -81.25 178.85 8.13 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.028 -1.101 . . . . 75.22 108.028 163.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 t -71.7 173.24 8.41 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.723 -0.611 . . . . 62.21 109.53 164.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.9 p -58.43 -66.97 0.4 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.335 1.054 . . . . 73.54 110.936 -175.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.0 mm -63.92 -39.01 83.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 123.787 0.835 . . . . 60.42 109.305 -176.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.58 -52.2 64.56 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.555 1.142 . . . . 64.33 109.82 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.43 -50.95 69.48 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.391 1.077 . . . . 44.41 109.891 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.14 -52.1 66.65 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.779 0.831 . . . . 55.0 110.87 -174.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -59.56 -55.87 29.05 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 118.63 -0.7 . . . . 75.4 109.35 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -53.1 -48.06 68.1 Favored 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 123.772 0.829 . . . . 60.14 110.687 -174.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 tp -56.36 -55.25 35.85 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 122.899 0.48 . . . . 74.53 109.801 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -64.49 -33.99 77.18 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.266 0.626 . . . . 71.24 110.958 -174.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 36.3 mt -59.53 -63.38 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 123.755 0.822 . . . . 72.22 109.926 169.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.3 mt -54.08 -37.57 64.38 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.77 1.168 . . . . 74.21 112.527 -176.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -78.02 14.59 1.09 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.881 0.872 . . . . 70.54 112.491 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -117.64 -16.52 10.08 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 117.876 -1.059 . . . . 73.53 113.359 172.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 pp -127.2 179.99 5.16 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.552 1.141 . . . . 72.2 111.463 -159.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -45.41 144.71 2.24 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 124.608 1.163 . . . . 71.11 112.827 -177.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.12 160.73 47.47 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.251 1.967 . . . . 62.2 113.1 -172.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -60.73 139.67 86.76 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 123.679 2.919 . . . . 73.52 113.336 -174.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -73.7 123.46 24.13 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 127.635 2.374 . . . . 74.34 109.637 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.49 142.27 31.04 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.223 1.009 . . . . 75.31 110.297 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.463 HD13 HG23 ' A' ' 20' ' ' ILE . 0.2 OUTLIER -136.2 51.31 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 124.237 1.015 . . . . 72.5 109.816 177.574 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 t0 173.84 17.58 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 128.992 2.917 . . . . 63.12 111.316 162.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.08 33.75 62.1 Favored Glycine 0 CA--C 1.527 0.833 0 O-C-N 121.353 -0.842 . . . . 74.34 111.781 -165.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.468 ' HE3' HD11 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -126.56 96.03 4.54 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 120.746 -1.443 . . . . 71.34 111.76 171.13 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.7 m -59.43 111.78 1.51 Allowed 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.301 -1.499 . . . . 62.31 107.83 173.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.468 HD11 ' HE3' ' A' ' 78' ' ' LYS . 43.7 mm -64.34 144.27 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 N-CA-C 108.193 -1.04 . . . . 74.51 108.193 -178.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.5 162.69 13.54 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 123.016 0.527 . . . . 75.53 110.352 173.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.3 t -125.0 148.19 29.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 107.111 -1.44 . . . . 71.4 107.111 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -151.47 169.43 22.06 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 128.822 2.849 . . . . 74.52 107.209 169.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -130.18 139.81 50.81 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 126.586 1.955 . . . . 71.24 106.357 178.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -140.21 86.31 2.07 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 107.509 -1.293 . . . . 71.24 107.509 171.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.55 89.54 7.88 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 106.949 -1.501 . . . . 74.41 106.949 -175.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.36 98.58 0.67 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 109.657 -1.377 . . . . 72.34 109.657 172.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 C--O 1.253 1.242 0 N-CA-C 103.388 -2.819 . . . . 74.4 103.388 150.189 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.946 0 CA-C-O 118.706 -1.052 . . . . 72.23 113.343 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -63.01 142.69 58.28 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 119.71 1.755 . . . . 64.02 109.531 177.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.7 mtp -69.52 -171.84 0.41 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 125.242 1.417 . . . . 72.05 111.717 174.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -94.89 101.34 13.12 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 127.454 2.302 . . . . 62.34 104.799 -177.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.0 m -115.05 104.44 11.89 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.491 -1.67 . . . . 51.34 106.491 173.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.1 mt -73.73 131.13 35.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 105.202 -2.147 . . . . 74.03 105.202 167.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.3 mt -111.07 147.58 14.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 106.817 -1.549 . . . . 74.02 106.817 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -110.3 155.67 21.77 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.624 1.169 . . . . 74.05 107.983 170.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.1 mtp85 -139.54 174.49 10.46 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.317 1.047 . . . . 73.01 110.388 173.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 53.4 t30 61.42 34.15 18.35 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.354 1.862 . . . . 54.11 112.16 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 49' ' ' PHE . 0.6 OUTLIER -72.28 129.0 37.39 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 106.393 -1.706 . . . . 74.24 106.393 170.094 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.405 ' HB2' ' HE2' ' A' ' 78' ' ' LYS . 2.7 m-20 -65.22 154.11 87.97 Favored Pre-proline 0 N--CA 1.47 0.56 0 N-CA-C 106.752 -1.573 . . . . 72.33 106.752 165.173 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -60.63 -23.63 76.31 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 123.501 2.801 . . . . 65.43 112.804 172.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 58.5 m170 -60.71 -27.93 68.26 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.545 1.066 . . . . 73.14 112.742 170.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 m -63.04 147.57 50.31 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 108.332 -0.988 . . . . 63.14 108.332 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.411 HG23 ' H ' ' A' ' 17' ' ' MET 0.255 2.5 t -129.44 -85.83 0.54 Allowed 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 107.18 -1.415 . . . . 73.02 107.18 -178.041 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.411 ' H ' HG23 ' A' ' 16' ' ' THR . 53.7 ttp -158.28 -66.65 0.09 Allowed 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 125.595 1.558 . . . . 72.43 108.046 175.113 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -61.71 -31.11 71.25 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 125.706 1.602 . . . . 74.01 111.61 -174.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.5 t -55.0 -46.55 75.18 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.639 1.576 . . . . 32.44 110.061 171.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.6 mt -71.89 -47.61 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 124.924 1.29 . . . . 74.33 107.796 -176.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.85 -15.87 45.76 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 118.632 -0.699 . . . . 73.12 111.919 176.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.75 -21.05 69.66 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-O 118.36 -1.245 . . . . 63.02 113.563 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -128.99 -39.64 1.56 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.804 1.302 . . . . 65.01 112.674 -173.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.5 tp -86.53 30.67 0.7 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.583 1.953 . . . . 64.23 109.844 176.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.476 ' HB1' HG22 ' A' ' 29' ' ' VAL . . . -114.67 53.47 0.72 Allowed Pre-proline 0 CA--C 1.551 1.007 0 O-C-N 121.172 -0.955 . . . . 52.32 112.109 166.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -75.28 -30.4 6.82 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.602 2.201 . . . . 71.32 113.821 171.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -139.73 -24.87 0.83 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.611 1.096 . . . . 74.05 112.861 -171.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.48 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -138.16 114.56 10.34 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 107.709 -1.219 . . . . 65.25 107.709 -171.018 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.476 HG22 ' HB1' ' A' ' 25' ' ' ALA . 6.9 t -131.02 87.6 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 108.1 -1.074 . . . . 70.14 108.1 -161.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -62.21 165.82 5.46 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.525 -0.761 . . . . 70.24 111.851 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 57.7 m -77.66 35.5 0.19 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.869 1.268 . . . . 62.03 111.505 168.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.1 m 63.63 -70.64 0.07 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.863 2.065 . . . . 65.32 112.275 -178.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -24.72 67.63 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 120.348 1.431 . . . . 22.31 112.688 -168.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -50.21 -29.77 10.1 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 124.988 1.315 . . . . 71.05 111.496 169.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.4 t -81.0 91.95 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 C-N-CA 124.853 1.261 . . . . 65.33 107.668 170.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.94 111.66 2.59 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 120.784 -1.197 . . . . 51.21 108.333 169.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -109.04 119.21 58.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 125.776 1.63 . . . . 72.31 107.9 164.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.6 mt -77.17 133.49 30.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 N-CA-C 106.481 -1.674 . . . . 72.45 106.481 165.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.72 142.56 43.9 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.45 1.1 . . . . 62.04 108.463 175.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -54.36 162.74 1.01 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.089 1.356 . . . . 65.45 111.256 168.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.97 -21.78 12.68 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.113 0.965 . . . . 73.21 111.465 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.72 -62.3 1.42 Allowed 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.659 -1.237 . . . . 64.44 107.659 173.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.2 p -83.41 -14.17 53.24 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 112.141 0.423 . . . . 73.24 112.141 -163.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 72.72 -13.77 0.63 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.758 2.023 . . . . 73.34 113.431 -177.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.38 -179.07 0.14 Allowed 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 128.276 2.63 . . . . 74.05 111.391 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -102.12 173.82 6.21 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.946 0.898 . . . . 73.01 110.094 175.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.6 mmp_? -88.05 -13.74 40.74 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 115.179 1.548 . . . . 71.25 115.179 -175.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.89 13.27 22.24 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 127.237 2.351 . . . . 62.32 114.129 171.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.446 ' HA ' HD23 ' A' ' 11' ' ' LEU . 14.1 p90 -152.96 173.33 15.53 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 127.392 2.277 . . . . 54.54 107.448 176.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -150.53 168.65 23.61 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 124.628 1.171 . . . . 63.12 108.915 175.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -135.46 110.56 8.89 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.339 1.055 . . . . 64.24 108.612 -172.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.3 mt -75.24 140.74 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 120.046 1.293 . . . . 73.14 108.994 168.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -121.54 112.73 18.85 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 123.828 0.851 . . . . 70.33 109.055 169.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.4 mt -121.37 178.44 4.79 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 125.061 1.345 . . . . 72.44 110.835 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.39 148.76 4.66 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.942 0.897 . . . . 72.14 109.371 156.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.7 m -48.39 -67.07 0.3 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.788 1.635 . . . . 74.44 110.898 171.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.6 mt -69.22 -37.05 75.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 N-CA-C 109.177 -0.675 . . . . 73.25 109.177 -169.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.44 -55.7 31.33 Favored 'General case' 0 CA--C 1.523 -0.093 0 C-N-CA 123.197 0.599 . . . . 72.42 110.515 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.79 -54.96 15.99 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.61 0.764 . . . . 73.23 110.83 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.46 -33.43 75.91 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.278 0.631 . . . . 52.52 112.599 -174.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -68.48 -56.88 6.87 Favored 'General case' 0 CA--C 1.515 -0.371 0 C-N-CA 123.42 0.688 . . . . 72.25 111.045 174.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -59.26 -44.8 92.39 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 123.634 0.774 . . . . 70.44 110.014 -171.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.92 -38.77 73.32 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 120.895 -0.322 . . . . 72.35 110.661 -175.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -62.4 -31.11 71.73 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 111.886 0.328 . . . . 74.33 111.886 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.0 mt -63.73 -54.18 35.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 N-CA-C 106.945 -1.502 . . . . 74.34 106.945 177.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.693 ' HA ' HD21 ' A' ' 69' ' ' LEU . 2.4 mm? -55.21 -13.44 1.28 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.945 2.098 . . . . 73.32 114.45 178.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -97.54 14.47 26.43 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.911 1.232 . . . . 61.32 113.07 175.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.23 -33.01 1.53 Allowed 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.854 1.798 . . . . 73.44 115.854 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.693 HD21 ' HA ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -58.84 175.77 0.25 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.789 1.236 . . . . 42.41 113.502 167.387 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -55.09 155.2 9.04 Favored Pre-proline 0 CA--C 1.542 0.639 0 C-N-CA 124.625 1.17 . . . . 74.35 111.079 162.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -63.53 165.72 17.21 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.815 3.01 . . . . 72.25 114.54 -175.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -68.28 143.87 60.19 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 123.5 2.8 . . . . 54.11 113.167 -173.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.3 120.7 24.14 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 124.955 1.302 . . . . 61.05 109.76 -176.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.62 153.82 42.48 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.862 0.865 . . . . 73.22 109.239 176.34 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -131.77 13.21 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 123.361 0.664 . . . . 63.35 111.506 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.445 ' CB ' ' HE3' ' A' ' 78' ' ' LYS . 1.5 t70 -171.21 32.84 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.252 1.021 . . . . 65.15 109.718 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.33 16.47 71.35 Favored Glycine 0 CA--C 1.534 1.237 0 O-C-N 120.663 -1.273 . . . . 71.22 114.415 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.445 ' HE3' ' CB ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -117.14 108.63 15.93 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 127.726 2.41 . . . . 71.44 108.565 178.645 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 56.0 m -76.57 114.75 15.64 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.019 -1.104 . . . . 62.02 108.019 175.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 32.7 mm -61.11 157.6 2.94 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 125.986 1.714 . . . . 73.13 108.681 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.12 159.65 21.45 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.894 1.678 . . . . 54.55 108.327 173.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.5 t -121.17 136.69 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 125.171 1.389 . . . . 71.34 107.608 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -128.72 163.33 25.37 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 124.521 1.129 . . . . 61.02 109.587 165.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -127.03 93.22 3.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.064 -1.425 . . . . 73.31 108.78 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.0 86.16 7.36 Favored 'General case' 0 C--O 1.226 -0.137 0 N-CA-C 107.869 -1.16 . . . . 61.13 107.869 168.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.7 tptt -116.84 106.34 13.35 Favored 'General case' 0 CA--C 1.511 -0.554 0 C-N-CA 127.791 2.437 . . . . 72.41 107.959 174.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.0 97.73 0.38 Allowed Glycine 0 CA--C 1.523 0.586 0 CA-C-O 119.592 -0.56 . . . . 62.01 111.754 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.8 m . . . . . 0 C--O 1.248 1.012 0 N-CA-C 108.797 -0.816 . . . . 45.53 108.797 145.427 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.672 0 N-CA-C 111.048 -0.821 . . . . 23.51 111.048 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -62.73 -34.17 76.63 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 122.993 0.517 . . . . 71.55 111.023 164.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.1 mmm 75.08 65.98 0.07 Allowed 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 128.694 2.798 . . . . 53.45 111.595 -178.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -161.67 142.41 10.84 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 130.771 3.628 . . . . 74.24 105.502 175.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.2 m -146.78 131.49 17.92 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 105.428 -2.064 . . . . 74.35 105.428 150.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.6 mt -106.05 132.85 52.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 105.541 -2.022 . . . . 64.11 105.541 169.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.8 mt -100.82 132.19 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 N-CA-C 106.626 -1.62 . . . . 54.44 106.626 170.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.1 mt -89.65 151.07 22.07 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.179 -1.045 . . . . 63.12 108.179 164.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 mtp-105 -133.02 172.76 12.2 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.458 1.103 . . . . 72.33 108.773 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.0 t30 57.83 42.02 23.93 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 125.097 1.359 . . . . 71.12 110.19 175.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.7 mt -89.34 130.48 35.71 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 105.233 -2.136 . . . . 71.14 105.233 171.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -73.62 159.14 85.23 Favored Pre-proline 0 C--O 1.237 0.435 0 N-CA-C 109.946 -0.39 . . . . 72.04 109.946 -177.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.36 -42.21 58.07 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 123.732 2.955 . . . . 75.02 111.993 174.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -67.45 -17.04 64.54 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.876 1.27 . . . . 75.02 113.987 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.5 m -70.68 172.97 7.76 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 120.786 -1.196 . . . . 75.12 109.855 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.283 1.7 t -129.2 -86.03 0.55 Allowed 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 106.031 -1.841 . . . . 62.04 106.031 165.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.535 ' HB3' HG21 ' A' ' 37' ' ' VAL . 3.6 ptp -159.45 -40.48 0.06 Allowed 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 119.964 1.256 . . . . 74.35 109.542 166.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.31 -25.63 68.4 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.007 0.367 . . . . 73.21 111.591 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -49.18 -43.07 41.83 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.344 1.458 . . . . 73.24 110.667 169.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.1 mp -87.34 -48.99 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 C-N-CA 125.447 1.499 . . . . 64.44 108.647 -178.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.446 HD21 HG21 ' A' ' 35' ' ' VAL . 81.8 mt -65.05 -28.7 69.66 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 113.51 0.93 . . . . 75.23 113.51 -166.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -97.02 14.14 64.19 Favored Glycine 0 CA--C 1.523 0.544 0 CA-C-O 118.765 -1.02 . . . . 61.23 113.121 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -124.38 -64.63 1.1 Allowed 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.617 1.567 . . . . 61.25 107.971 175.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.77 45.53 1.3 Allowed 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 127.071 2.148 . . . . 74.32 110.145 -169.028 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.634 ' HB1' HG22 ' A' ' 29' ' ' VAL . . . -122.03 54.0 4.86 Favored Pre-proline 0 CA--C 1.539 0.544 0 O-C-N 121.202 -0.936 . . . . 75.54 112.52 171.257 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -72.52 -18.41 25.84 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.901 1.734 . . . . 60.32 113.561 171.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -129.93 -25.06 2.58 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 119.098 0.863 . . . . 75.54 113.162 -173.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.43 116.18 6.33 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 107.835 -1.172 . . . . 74.53 107.835 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.634 HG22 ' HB1' ' A' ' 25' ' ' ALA . 31.6 t -105.91 95.96 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 107.133 -1.432 . . . . 55.11 107.133 179.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -76.96 164.12 26.07 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 110.438 -0.208 . . . . 72.55 110.438 172.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 m -83.66 160.94 21.24 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.645 0.736 . . . . 62.03 110.916 155.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.2 p -60.4 -28.16 68.02 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.05 0.94 . . . . 63.11 112.854 173.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 p -67.14 -33.04 74.59 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 124.409 1.083 . . . . 72.14 111.713 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -73.68 -22.67 59.87 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 117.945 -1.026 . . . . 64.44 110.293 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.446 HG21 HD21 ' A' ' 21' ' ' LEU . 41.4 t -108.6 88.47 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-O 123.105 1.431 . . . . 52.54 109.331 -172.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -65.22 109.46 2.23 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 114.373 -1.285 . . . . 73.03 109.88 172.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.535 HG21 ' HB3' ' A' ' 17' ' ' MET . 41.2 t -110.29 107.53 23.14 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.18 0 C-N-CA 125.762 1.625 . . . . 75.45 107.124 169.25 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 49.3 mt -66.38 119.45 11.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 N-CA-C 106.568 -1.641 . . . . 72.35 106.568 167.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -82.57 154.56 24.94 Favored 'General case' 0 N--CA 1.44 -0.937 0 N-CA-C 108.658 -0.868 . . . . 73.32 108.658 162.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -60.51 -26.38 66.8 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.895 0.855 . . . . 74.01 110.212 163.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm 75.14 -67.98 0.23 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 127.937 2.495 . . . . 64.31 107.751 -171.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -61.46 -47.36 86.03 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 120.002 1.274 . . . . 72.45 113.791 -169.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.7 p -74.63 -13.32 60.63 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.601 0.76 . . . . 75.42 110.839 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 63.26 14.33 7.71 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 129.945 3.298 . . . . 63.23 112.706 -170.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.6 mt -91.93 175.28 6.94 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.08 0.952 . . . . 61.15 109.316 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -88.51 -173.3 4.11 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.631 0.772 . . . . 75.23 109.864 172.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -95.54 -13.82 24.14 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.423 -0.798 . . . . 74.02 112.025 161.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.99 12.97 51.31 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.394 1.473 . . . . 52.55 114.203 168.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -135.61 165.85 24.58 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.386 1.475 . . . . 75.31 107.215 161.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.73 160.95 37.82 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 124.238 1.015 . . . . 71.21 109.184 175.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -118.65 108.92 15.51 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.779 -1.193 . . . . 74.22 107.779 -177.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 18.8 mt -79.68 142.81 13.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 125.149 1.379 . . . . 72.45 108.195 170.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -128.91 95.75 4.17 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 126.466 1.907 . . . . 61.31 107.801 171.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mt -96.79 -173.01 2.6 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.033 0.933 . . . . 73.32 110.497 -177.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.46 151.31 46.65 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.018 1.327 . . . . 71.44 108.623 157.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.7 m -48.31 -60.18 2.86 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.266 1.026 . . . . 60.43 111.517 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.7 mm -69.63 -45.16 78.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 C-N-CA 123.418 0.687 . . . . 75.24 109.245 -173.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -55.19 -45.52 75.82 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.203 0.601 . . . . 74.34 109.948 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.26 -54.0 35.83 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.959 1.304 . . . . 60.44 109.534 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.21 -48.49 81.25 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.193 0.997 . . . . 71.41 110.712 -169.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -66.05 -51.92 53.76 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.336 0.655 . . . . 74.23 110.146 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -52.91 -41.79 64.76 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 123.817 0.847 . . . . 75.52 111.389 -178.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.3 tp -56.09 -48.95 75.16 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.241 -0.651 . . . . 71.25 109.241 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -61.19 -34.95 75.9 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 117.802 0.274 . . . . 71.12 111.481 -179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 67.1 mt -64.69 -54.52 29.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 108.276 -1.009 . . . . 73.32 108.276 175.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.9 mt -56.39 -18.99 12.78 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.888 1.069 . . . . 74.45 113.888 175.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -97.82 12.88 32.45 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 118.983 0.811 . . . . 63.52 111.733 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -147.71 -21.39 0.37 Allowed 'General case' 0 C--O 1.236 0.36 0 N-CA-C 115.176 1.547 . . . . 75.35 115.176 -175.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -175.25 5.32 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.465 1.106 . . . . 75.35 112.525 178.135 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.33 144.84 81.95 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 123.559 0.744 . . . . 64.12 112.404 171.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -66.09 160.16 46.0 Favored 'Trans proline' 0 N--CA 1.455 -0.764 1 C-N-CA 125.64 4.227 . . . . 72.44 113.724 -171.53 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -77.26 149.09 27.65 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 123.271 2.647 . . . . 64.11 114.911 -171.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.29 122.52 18.53 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 127.961 2.504 . . . . 62.41 109.08 171.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.87 144.23 43.47 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 124.48 1.112 . . . . 52.55 110.233 179.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.0 17.78 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.144 0.978 . . . . 74.42 111.966 -176.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.491 ' HB3' ' HE3' ' A' ' 78' ' ' LYS . 15.7 t70 -164.58 29.07 0.07 Allowed 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.121 -0.987 . . . . 74.23 110.214 167.129 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.32 18.07 77.96 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.332 0.968 . . . . 43.35 114.676 -170.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.491 ' HE3' ' HB3' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -121.48 119.19 31.3 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.719 2.008 . . . . 74.15 110.82 175.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.04 124.66 26.68 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 120.877 -1.14 . . . . 54.44 110.51 174.153 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.1 mm -67.25 147.84 12.36 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 119.535 1.062 . . . . 74.41 110.063 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -130.07 176.29 8.2 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 124.548 1.139 . . . . 60.01 111.454 174.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 t -133.56 136.42 54.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 124.215 1.006 . . . . 74.34 108.94 -167.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -125.23 164.14 20.95 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.201 -1.037 . . . . 72.14 108.201 158.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -119.06 111.73 18.66 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 105.749 -1.945 . . . . 75.31 105.749 178.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.03 47.67 1.09 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 124.661 1.185 . . . . 64.15 109.198 -172.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.458 ' HA ' ' HE2' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -68.48 97.33 0.76 Allowed 'General case' 0 C--O 1.223 -0.323 0 N-CA-C 107.777 -1.194 . . . . 72.34 107.777 176.244 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.412 ' N ' ' HE2' ' A' ' 86' ' ' LYS . . . -52.8 -78.36 0.11 Allowed Glycine 0 CA--C 1.526 0.737 0 O-C-N 124.498 1.124 . . . . 73.42 111.29 -178.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.6 m . . . . . 0 C--O 1.257 1.468 0 CA-C-O 115.945 -1.978 . . . . 72.31 109.819 -171.393 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.356 0 N-CA-C 110.979 -0.848 . . . . 70.55 110.979 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 48.35 -171.82 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.664 2.386 . . . . 74.51 112.78 178.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.5 ptt? -94.77 137.29 34.04 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 104.656 -2.35 . . . . 72.22 104.656 154.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.4 ' OD1' ' HE2' ' A' ' 86' ' ' LYS . 1.6 m-20 45.79 94.24 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 129.002 2.921 . . . . 72.55 111.998 174.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.0 m -115.77 123.81 49.19 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 111.577 -2.556 . . . . 63.21 108.794 171.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 52.2 mt -93.98 117.4 37.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 104.399 -2.445 . . . . 65.25 104.399 159.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.2 mp -92.38 144.11 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 106.43 -1.693 . . . . 71.35 106.43 172.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.444 ' HB3' HD21 ' A' ' 11' ' ' LEU . 10.0 mp -110.28 150.78 28.23 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 106.997 -1.483 . . . . 64.12 106.997 167.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.4 mtp85 -130.18 170.72 13.7 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 107.421 -1.326 . . . . 74.43 107.421 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 51.1 t30 67.3 30.11 7.23 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.014 1.725 . . . . 72.44 113.222 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.444 HD21 ' HB3' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -73.46 117.34 15.1 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 119.901 -1.749 . . . . 74.15 107.454 174.404 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.499 ' H ' ' HE3' ' A' ' 78' ' ' LYS . 2.2 m-20 -67.96 162.26 60.65 Favored Pre-proline 0 C--O 1.235 0.336 0 C-N-CA 123.56 0.744 . . . . 72.43 110.167 175.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.739 ' HB2' HD22 ' A' ' 45' ' ' LEU . 71.6 Cg_endo -71.02 -31.54 14.8 Favored 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 123.547 2.831 . . . . 60.21 112.128 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.64 -14.98 61.72 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.47 1.108 . . . . 73.0 113.688 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.0 m -90.36 166.49 13.27 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.903 1.229 . . . . 72.44 109.877 167.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 t -135.83 -39.92 0.7 Allowed 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 125.268 1.427 . . . . 61.41 110.058 176.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.6 ttp -175.06 -60.08 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.693 0 C-N-CA 126.101 1.76 . . . . 74.24 108.686 165.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -51.85 -31.57 28.38 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 126.412 1.885 . . . . 65.41 113.153 -163.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.7 m -63.35 -59.62 4.46 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 109.988 -0.375 . . . . 75.23 109.988 173.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.3 mt -53.69 -43.83 56.45 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 C-N-CA 124.474 1.11 . . . . 73.35 108.302 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.7 tp -69.13 -21.85 64.0 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 113.567 0.951 . . . . 72.55 113.567 -166.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -107.37 -22.48 7.42 Favored Glycine 0 CA--C 1.526 0.779 0 CA-C-O 119.218 -0.768 . . . . 52.03 112.452 177.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.23 -46.88 12.16 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 118.79 1.295 . . . . 62.45 109.393 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.0 tp -81.78 20.17 0.99 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.899 0.88 . . . . 63.25 110.133 -173.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.51 53.27 2.95 Favored Pre-proline 0 CA--C 1.543 0.699 0 C-N-CA 125.124 1.37 . . . . 72.41 113.862 -171.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -68.79 -23.22 35.84 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 121.397 1.398 . . . . 60.41 112.112 167.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -130.53 -24.22 2.52 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.573 1.149 . . . . 73.15 112.704 -176.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.53 103.58 4.11 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.792 0.837 . . . . 72.23 110.351 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.7 t -80.54 108.07 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 104.121 -2.548 . . . . 62.43 104.121 157.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.16 157.03 35.27 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 119.528 -0.869 . . . . 71.11 109.934 167.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 m -84.69 155.34 21.98 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 121.98 0.895 . . . . 65.14 109.271 168.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.4 p -64.19 -24.92 67.85 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 114.008 1.114 . . . . 73.14 114.008 -172.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 t -64.52 -48.42 75.18 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.231 -0.655 . . . . 64.45 109.231 173.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -63.08 -17.92 62.82 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 124.978 1.311 . . . . 71.54 112.405 -172.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.2 t -118.31 96.24 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-O 122.719 1.247 . . . . 71.13 109.935 -170.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.4 112.42 16.62 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 108.125 -1.065 . . . . 54.52 108.125 170.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.5 t -108.1 101.48 12.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 103.761 -2.681 . . . . 65.34 103.761 160.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.1 mt -68.57 136.23 26.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 N-CA-C 106.055 -1.832 . . . . 72.32 106.055 171.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -129.82 160.93 31.97 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.63 0.772 . . . . 62.3 109.331 177.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -68.67 -175.48 0.68 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.778 0.831 . . . . 64.33 112.024 -175.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.21 -40.81 4.33 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.363 1.465 . . . . 61.01 111.234 174.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -101.99 -36.82 8.47 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.388 0.675 . . . . 51.21 110.801 -172.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.3 p -81.24 -21.5 39.42 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.752 0.705 . . . . 73.31 110.716 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.2 mm-40 56.95 44.78 22.42 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.765 2.026 . . . . 54.12 111.304 -174.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.739 HD22 ' HB2' ' A' ' 13' ' ' PRO . 9.1 mt -137.83 159.8 41.01 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.536 1.062 . . . . 63.1 110.862 177.404 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -56.97 162.89 2.23 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.18 1.392 . . . . 61.24 111.822 178.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.95 -14.53 61.06 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.035 -1.04 . . . . 70.13 111.754 167.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.89 -14.31 52.74 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 119.937 1.244 . . . . 73.04 114.229 178.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.442 ' HA ' HD23 ' A' ' 11' ' ' LEU . 6.3 p90 -128.53 163.73 24.33 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 119.51 1.655 . . . . 64.43 109.235 169.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -147.09 157.01 43.47 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.727 1.211 . . . . 64.44 110.406 -171.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -130.12 99.09 4.94 Favored 'General case' 0 C--N 1.334 -0.093 0 C-N-CA 124.423 1.089 . . . . 73.1 111.321 -158.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.6 mt -79.59 137.87 20.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 N-CA-C 108.061 -1.088 . . . . 71.22 108.061 170.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -121.06 119.02 31.26 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.734 2.014 . . . . 73.55 105.766 169.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.2 mt -124.22 169.01 12.16 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.519 1.128 . . . . 73.14 108.681 176.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.405 ' HB3' ' CG ' ' A' ' 58' ' ' GLU . 10.2 t -65.24 164.6 13.03 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.119 0.568 . . . . 63.25 110.44 175.599 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.5 p -53.29 -67.18 0.28 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.235 1.414 . . . . 50.45 111.722 -167.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.4 mm -68.75 -37.92 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 O-C-N 121.271 -0.893 . . . . 71.45 110.186 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.405 ' CG ' ' HB3' ' A' ' 55' ' ' SER . 16.6 mm-40 -57.93 -49.35 77.05 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 124.41 1.084 . . . . 74.55 110.904 -173.505 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.17 -54.04 41.7 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.045 1.338 . . . . 72.43 110.445 176.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.76 -43.84 92.0 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.934 0.493 . . . . 71.44 110.556 -176.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -59.43 -56.29 23.9 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 123.799 0.84 . . . . 64.14 110.301 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -54.53 -52.1 63.09 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 124.373 1.046 . . . . 75.23 109.261 -177.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.9 tp -50.54 -53.6 28.98 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.685 0.794 . . . . 73.14 110.623 -176.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -63.92 -23.44 67.34 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.62 0.6 . . . . 64.22 112.62 -172.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.7 mt -66.69 -59.88 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 N-CA-C 108.002 -1.11 . . . . 75.23 108.002 174.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.17 -22.81 63.38 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.289 -0.882 . . . . 54.03 112.698 -178.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -84.97 14.43 4.92 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.008 1.323 . . . . 71.44 113.273 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.51 -43.32 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 123.777 0.831 . . . . 64.45 111.99 -178.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 pp -77.08 -168.89 1.18 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.219 1.408 . . . . 44.31 112.565 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -53.05 157.16 3.08 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 126.354 1.862 . . . . 63.44 113.214 -177.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -66.56 161.52 40.98 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 123.209 2.606 . . . . 71.43 112.151 -176.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -63.76 141.82 80.35 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 123.107 2.538 . . . . 74.31 112.648 -176.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.53 114.48 16.41 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 126.153 1.781 . . . . 72.42 108.613 -175.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.2 t -71.08 159.34 34.88 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.955 0.883 . . . . 75.41 110.826 172.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -138.44 15.95 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 125.968 1.707 . . . . 73.31 110.399 -175.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.1 t70 178.19 42.62 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 127.563 2.345 . . . . 44.14 109.093 173.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.46 -14.23 1.89 Allowed Glycine 0 CA--C 1.535 1.298 0 O-C-N 120.286 -1.509 . . . . 55.33 115.716 -178.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.499 ' HE3' ' H ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -83.63 109.45 17.45 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 120.342 2.071 . . . . 71.15 109.371 177.777 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.53 113.92 6.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 121.205 1.82 . . . . 75.43 108.694 174.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.6 mm -59.12 165.27 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-O 122.232 1.015 . . . . 74.22 109.306 178.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.48 161.13 27.79 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 126.97 2.108 . . . . 52.35 107.217 -176.267 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 19.4 t -129.83 143.24 41.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 105.543 -2.021 . . . . 62.31 105.543 177.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.08 165.05 28.5 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 124.969 1.308 . . . . 75.31 108.413 178.121 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -141.17 105.34 4.81 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.15 -1.055 . . . . 75.51 108.15 -174.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.13 65.79 1.21 Allowed 'General case' 0 C--O 1.239 0.519 0 CA-C-O 122.716 1.246 . . . . 45.25 109.592 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HE2' ' OD1' ' A' ' 4' ' ' ASP . 3.6 tmtt? -71.63 42.09 0.08 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 128.869 2.867 . . . . 73.22 111.921 177.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.76 -15.29 3.05 Favored Glycine 0 CA--C 1.528 0.882 0 O-C-N 119.716 -1.865 . . . . 45.23 114.91 171.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.3 t . . . . . 0 C--O 1.248 0.984 0 C-N-CA 126.106 1.762 . . . . 73.54 107.728 164.209 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.469 0 CA-C-O 117.839 -1.534 . . . . 34.53 110.802 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -164.0 -45.66 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.455 1.502 . . . . 72.11 110.495 179.112 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.13 116.79 6.87 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 108.504 -0.924 . . . . 50.22 108.504 178.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 61.41 90.91 0.06 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 127.13 2.172 . . . . 51.33 108.456 176.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.7 m -120.38 124.47 45.58 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 125.006 1.322 . . . . 72.23 108.441 -174.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 52' ' ' ILE . 18.2 mt -86.96 134.11 28.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 106.135 -1.802 . . . . 74.23 106.135 165.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mp -112.0 155.1 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 106.897 -1.52 . . . . 51.23 106.897 162.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.6 mt -125.58 159.67 31.52 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 125.286 1.435 . . . . 75.44 108.704 177.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.504 ' HB2' ' HB2' ' A' ' 81' ' ' ASN . 33.7 mtt-85 -134.35 163.15 30.3 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.86 0.864 . . . . 73.12 109.42 173.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 58.8 t30 74.18 39.57 0.48 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.639 1.976 . . . . 71.11 112.698 175.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.37 97.85 10.22 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 120.207 -1.558 . . . . 63.42 108.208 176.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.569 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 2.1 m-20 -49.53 154.6 1.57 Allowed Pre-proline 0 N--CA 1.479 0.994 0 C-N-CA 123.846 0.858 . . . . 74.24 111.068 175.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.444 ' HB2' HD22 ' A' ' 45' ' ' LEU . 30.9 Cg_endo -56.49 -47.73 22.48 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.694 2.929 . . . . 72.3 112.129 -175.108 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -83.86 13.86 4.51 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.479 0.918 . . . . 73.33 113.479 -175.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.6 t -73.57 -22.54 60.03 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 114.816 1.413 . . . . 74.45 114.816 -172.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.13 -164.86 0.22 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.954 1.302 . . . . 53.23 112.939 -175.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 61.9 ttp -115.46 -59.02 2.06 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 124.433 1.093 . . . . 62.12 109.191 170.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -60.57 -30.48 69.82 Favored 'General case' 0 N--CA 1.462 0.142 0 O-C-N 123.482 0.489 . . . . 70.44 111.353 -173.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.6 t -49.68 -63.47 1.1 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.942 1.697 . . . . 64.01 110.065 168.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.6 mt -60.31 -42.79 91.94 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.253 0 C-N-CA 125.727 1.611 . . . . 75.14 109.616 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.462 HD21 HG21 ' A' ' 35' ' ' VAL . 36.3 mt -53.95 -44.32 70.61 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 119.575 1.08 . . . . 75.22 109.76 177.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -86.38 14.18 55.46 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-O 117.281 -1.844 . . . . 73.41 115.232 -177.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.55 -37.85 0.68 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.137 1.468 . . . . 73.55 112.786 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 tp -95.14 31.31 1.94 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 127.27 2.228 . . . . 44.02 110.042 -178.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.404 ' HB1' ' HA ' ' A' ' 29' ' ' VAL . . . -128.77 54.29 13.63 Favored Pre-proline 0 CA--C 1.54 0.574 0 O-C-N 121.202 -0.937 . . . . 73.15 112.119 173.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.86 -32.86 13.31 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 121.386 1.391 . . . . 72.52 112.15 176.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -107.15 -28.36 10.01 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 117.96 -1.019 . . . . 60.11 112.834 -174.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.95 133.93 12.26 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 125.617 1.567 . . . . 71.51 108.717 -169.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.404 ' HA ' ' HB1' ' A' ' 25' ' ' ALA . 17.0 t -112.66 96.35 4.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 118.917 0.781 . . . . 72.51 111.063 -163.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.59 169.95 6.97 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 125.794 1.637 . . . . 74.23 112.91 177.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.9 m -130.45 163.87 26.02 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.804 1.642 . . . . 73.45 111.679 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.8 p -76.44 -24.94 53.96 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 115.706 1.743 . . . . 74.12 115.706 -163.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.6 t -69.17 -34.86 75.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 119.13 0.877 . . . . 53.02 109.669 172.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -68.55 -37.42 79.93 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.639 -0.504 . . . . 63.24 109.639 -176.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.462 HG21 HD21 ' A' ' 21' ' ' LEU . 42.4 t -90.41 144.72 8.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 123.881 0.872 . . . . 64.21 110.784 -174.342 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.82 90.95 2.9 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 120.676 -1.265 . . . . 74.05 110.275 -173.687 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.6 t -93.58 85.79 2.0 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 C-N-CA 127.442 2.297 . . . . 72.12 107.978 169.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.6 mt -59.62 122.96 11.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 C-N-CA 125.83 1.652 . . . . 70.43 106.917 171.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -92.9 156.65 16.81 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 118.931 0.787 . . . . 73.44 109.766 172.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -71.3 175.97 4.95 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 118.652 0.66 . . . . 73.33 110.944 166.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -112.06 -14.69 13.4 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 114.53 1.307 . . . . 63.11 114.53 169.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.32 -56.41 2.63 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 120.233 1.379 . . . . 72.2 109.547 175.315 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.9 p -74.63 -15.1 60.83 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 119.59 1.087 . . . . 74.34 112.202 -174.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 68.22 -14.31 0.25 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.864 1.666 . . . . 70.32 113.318 -168.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.444 HD22 ' HB2' ' A' ' 13' ' ' PRO . 13.8 mt -71.9 -172.7 0.88 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.673 1.589 . . . . 53.12 110.239 -174.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.5 p30 -75.9 -173.74 2.4 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.748 2.019 . . . . 74.04 112.287 167.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -111.85 -13.83 13.62 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.162 1.785 . . . . 73.33 113.53 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.79 14.5 36.93 Favored Glycine 0 N--CA 1.469 0.873 0 CA-C-N 119.914 1.234 . . . . 51.23 114.698 172.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -145.42 168.18 21.16 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 125.645 1.578 . . . . 75.01 106.814 170.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -146.31 158.09 43.85 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 120.418 -1.426 . . . . 75.23 108.7 166.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -113.08 160.11 18.51 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.066 -1.457 . . . . 71.53 107.066 176.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 45.1 mt -142.23 118.97 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 126.776 2.03 . . . . 74.25 105.611 177.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -111.89 86.44 2.34 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 105.541 -2.022 . . . . 61.33 105.541 -177.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 mt -85.52 -171.88 3.84 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.556 -0.715 . . . . 71.53 109.358 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.1 t -68.79 159.01 33.19 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 108.892 -0.781 . . . . 71.35 108.892 162.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 p -45.23 -68.92 0.16 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 127.19 2.196 . . . . 72.13 111.641 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.3 mm -62.32 -46.0 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 C-N-CA 125.212 1.405 . . . . 73.24 109.396 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -60.5 -48.8 80.16 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 123.087 0.555 . . . . 71.32 111.334 -175.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.88 -40.14 79.53 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.404 1.082 . . . . 63.53 111.14 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.96 -59.0 3.6 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.393 0.677 . . . . 72.13 110.328 174.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -48.74 -57.81 5.75 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 125.162 1.385 . . . . 42.23 110.161 -177.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -55.17 -51.04 67.78 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 124.615 1.166 . . . . 64.54 110.085 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.8 tt -57.07 -47.49 80.88 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-O 118.602 -0.713 . . . . 51.33 110.608 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -56.67 -35.8 68.85 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 122.981 0.512 . . . . 74.24 112.314 -175.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.4 mt -59.64 -65.12 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 124.559 1.144 . . . . 71.44 110.042 177.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.16 -14.55 25.82 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.767 0.827 . . . . 51.01 113.03 -176.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -95.88 14.8 22.23 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.497 1.519 . . . . 43.04 111.858 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -142.24 13.95 2.02 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 114.071 1.137 . . . . 74.31 114.071 -178.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.3 pp -163.07 145.01 10.06 Favored 'General case' 0 CA--C 1.514 -0.442 0 O-C-N 120.679 -1.263 . . . . 72.44 110.116 -175.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 55.61 167.22 0.05 OUTLIER Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.835 1.254 . . . . 74.15 113.502 175.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -69.15 169.57 17.83 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 121.086 1.191 . . . . 74.13 110.252 166.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -64.81 157.0 58.68 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 122.862 2.375 . . . . 73.21 111.258 158.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.496 HD13 ' H ' ' A' ' 74' ' ' THR . 0.2 OUTLIER -91.3 170.83 9.66 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 127.827 2.451 . . . . 72.54 108.657 -175.307 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.496 ' H ' HD13 ' A' ' 73' ' ' LEU . 10.7 t -145.23 151.15 37.93 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 121.579 -0.7 . . . . 75.34 111.255 164.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -138.2 18.52 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 127.248 2.219 . . . . 55.33 110.343 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -163.7 31.04 0.08 Allowed 'General case' 0 N--CA 1.48 1.072 0 O-C-N 119.525 -1.984 . . . . 72.35 109.567 167.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.72 13.75 59.48 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 125.017 1.294 . . . . 44.55 114.792 -173.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.569 ' HE3' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -112.36 113.96 26.43 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 119.194 1.497 . . . . 72.01 108.971 173.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.93 120.13 18.13 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.324 -0.86 . . . . 63.43 109.212 -177.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.7 mm -71.97 134.52 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 N-CA-C 109.425 -0.583 . . . . 72.31 109.425 -173.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.504 ' HB2' ' HB2' ' A' ' 9' ' ' ARG . 1.0 OUTLIER -91.5 157.89 16.78 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.436 1.494 . . . . 73.32 108.614 169.394 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.5 t -127.02 149.58 32.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 124.902 1.281 . . . . 74.53 107.579 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -142.97 164.53 29.84 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 125.683 1.593 . . . . 71.23 109.096 174.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -138.26 88.32 2.3 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 125.143 1.377 . . . . 74.25 108.161 -174.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -93.08 76.77 4.67 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 107.724 -1.213 . . . . 41.35 107.724 176.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -76.54 111.13 11.7 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 108.499 -0.926 . . . . 73.12 108.499 -174.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -73.79 74.04 1.17 Allowed Glycine 0 CA--C 1.534 1.232 0 CA-C-O 119.844 -0.42 . . . . 51.42 112.051 171.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.1 m . . . . . 0 C--O 1.251 1.183 0 N-CA-C 107.499 -1.297 . . . . 70.33 107.499 158.415 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.891 0 N-CA-C 111.047 -0.821 . . . . 74.4 111.047 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 74.99 -58.7 0.57 Allowed 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 127.711 2.404 . . . . 71.1 112.879 172.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.421 ' HG3' ' H ' ' A' ' 4' ' ' ASP . 3.3 tpp 50.94 -163.76 0.05 Allowed 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 124.737 1.215 . . . . 44.24 111.119 -170.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.421 ' H ' ' HG3' ' A' ' 3' ' ' MET . 1.7 m-20 -94.23 93.98 8.07 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 104.297 -2.483 . . . . 54.45 104.297 175.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.5 m -98.45 134.04 41.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.206 -0.906 . . . . 72.41 109.101 174.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.0 mt -97.35 131.62 43.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 N-CA-C 104.988 -2.227 . . . . 75.4 104.988 163.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.6 mt -106.77 150.78 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 106.056 -1.831 . . . . 75.41 106.056 172.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 mp -120.83 155.23 34.52 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 125.061 1.344 . . . . 60.04 107.488 175.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.9 mtp85 -138.59 173.91 11.09 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.721 0.808 . . . . 71.12 109.562 175.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.7 t30 62.54 30.26 17.09 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.797 2.039 . . . . 71.21 112.184 -174.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.502 HD23 ' HA ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -71.7 124.24 24.31 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 119.545 -1.972 . . . . 71.34 105.943 173.319 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.415 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 1.9 m-20 -64.11 153.07 86.37 Favored Pre-proline 0 C--O 1.236 0.385 0 CA-C-O 118.9 -0.571 . . . . 73.13 109.685 175.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -59.21 -43.89 38.15 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 122.961 2.441 . . . . 63.1 111.34 172.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -66.71 -14.76 62.91 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.903 1.281 . . . . 75.3 113.932 176.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 t -69.44 164.46 23.0 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 120.024 1.283 . . . . 75.43 109.334 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 19' ' ' SER . 12.4 t -124.63 -164.24 1.25 Allowed 'General case' 0 C--O 1.236 0.384 0 N-CA-C 107.463 -1.31 . . . . 74.4 107.463 168.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 51.5 ttm -85.21 -55.67 3.92 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 126.565 1.946 . . . . 75.04 107.233 169.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -57.74 -28.9 64.32 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.065 1.346 . . . . 62.03 112.471 -168.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.485 ' H ' HG23 ' A' ' 16' ' ' THR . 68.5 p -71.36 -56.29 6.27 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.598 -0.89 . . . . 64.04 108.598 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mt -54.16 -42.68 57.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 125.766 1.627 . . . . 71.33 108.857 175.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.88 -21.47 64.73 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 117.503 -1.236 . . . . 72.1 113.712 -178.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -113.11 13.97 23.76 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 119.763 1.165 . . . . 54.33 113.444 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.504 ' HB3' HG12 ' A' ' 75' ' ' ILE . . . -144.51 -21.62 0.53 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 118.601 1.2 . . . . 63.33 113.386 -178.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 tp -94.06 14.56 19.49 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.957 0.799 . . . . 60.23 109.392 168.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.94 52.42 2.26 Favored Pre-proline 0 CA--C 1.544 0.714 0 N-CA-C 113.41 0.893 . . . . 71.41 113.41 -173.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.408 ' HG2' ' CD2' ' A' ' 27' ' ' TYR . 49.3 Cg_endo -73.8 -32.46 7.36 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 121.934 1.756 . . . . 71.22 111.259 165.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.408 ' CD2' ' HG2' ' A' ' 26' ' ' PRO . 73.9 m-85 -109.18 -34.54 6.55 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 119.125 0.875 . . . . 75.41 112.892 -168.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.35 141.78 33.82 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.689 -1.226 . . . . 75.41 107.689 173.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.6 t -117.18 98.78 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 N-CA-C 106.126 -1.805 . . . . 71.24 106.126 -174.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.4 mt -75.51 178.5 5.92 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.007 1.323 . . . . 64.44 110.074 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 t -124.59 171.94 9.63 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 122.141 0.972 . . . . 74.2 110.961 169.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.5 m -68.91 -24.44 64.3 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.971 1.309 . . . . 64.3 113.324 -169.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.6 t -80.39 -25.77 38.91 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.656 1.117 . . . . 73.13 110.573 172.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -69.98 -47.99 60.01 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 119.3 0.955 . . . . 54.31 108.813 176.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.0 t -75.21 143.65 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 121.768 0.794 . . . . 62.1 110.056 -177.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -129.05 112.35 13.92 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 106.946 -1.501 . . . . 71.33 106.946 168.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.2 t -110.1 100.23 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 104.793 -2.299 . . . . 74.02 104.793 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.1 mt -74.42 128.29 36.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 N-CA-C 106.344 -1.724 . . . . 60.34 106.344 177.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 46' ' ' ASN . 92.1 mttt -89.1 155.51 19.4 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 123.108 0.563 . . . . 73.13 110.131 172.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -30.07 56.72 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.327 1.451 . . . . 54.53 111.771 174.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.1 mttp 73.84 -20.93 0.28 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 127.376 2.27 . . . . 75.11 113.914 163.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.1 -65.87 0.64 Allowed 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 107.796 -1.187 . . . . 62.4 107.796 157.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.6 p -92.12 12.7 21.23 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.971 0.805 . . . . 64.13 112.138 -172.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 58.73 -13.73 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 127.955 2.502 . . . . 61.0 115.716 -171.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.4 mt -59.5 168.92 1.41 Allowed 'General case' 0 C--O 1.231 0.11 0 C-N-CA 125.271 1.428 . . . . 63.43 111.1 -177.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 12.8 m-20 -74.38 179.21 4.71 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.878 -0.415 . . . . 55.22 109.878 169.144 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -89.55 -14.07 35.94 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.692 0.997 . . . . 62.24 113.692 170.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.86 12.71 49.18 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 125.156 1.36 . . . . 53.12 114.153 174.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.502 ' HA ' HD23 ' A' ' 11' ' ' LEU . 31.4 p90 -142.45 161.93 36.77 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 127.554 2.341 . . . . 75.24 107.004 170.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -143.56 175.18 10.14 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.011 0.924 . . . . 75.43 108.513 177.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -137.12 164.58 28.11 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.267 1.427 . . . . 73.21 108.204 -175.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.9 mt -137.96 125.76 30.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 128.37 2.668 . . . . 51.11 105.898 175.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -116.65 100.69 8.0 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 106.889 -1.523 . . . . 74.24 106.889 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 mt -118.24 -174.77 2.73 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.47 1.508 . . . . 75.24 109.699 -176.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.42 161.02 20.74 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.795 -0.566 . . . . 73.22 109.594 163.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.0 p -54.96 -61.29 2.4 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.143 0.577 . . . . 64.04 109.84 174.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.6 mm -53.82 -58.7 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 125.544 1.538 . . . . 75.05 110.536 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.1 -46.73 85.03 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 109.894 -0.41 . . . . 63.25 109.894 -170.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.24 -55.2 37.86 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 123.772 0.829 . . . . 73.25 110.295 178.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.88 -49.55 75.16 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.721 1.209 . . . . 55.11 110.341 -175.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -55.22 -56.2 22.67 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 125.837 1.655 . . . . 62.41 110.85 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.2 -41.87 89.57 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.565 0.746 . . . . 71.24 110.692 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.09 -36.72 80.43 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.675 -0.641 . . . . 63.02 110.201 -178.322 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.52 -42.07 95.68 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.431 0.56 . . . . 73.03 110.449 176.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 69.4 mt -59.22 -52.93 54.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 N-CA-C 108.213 -1.032 . . . . 73.45 108.213 177.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.405 ' HA ' HD11 ' A' ' 69' ' ' LEU . 49.3 mt -52.82 -22.75 5.77 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 125.143 1.377 . . . . 74.13 114.41 177.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -105.14 14.64 28.83 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.232 0.924 . . . . 73.33 112.389 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -127.01 -33.74 2.41 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.935 1.294 . . . . 60.25 113.83 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.511 ' H ' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -87.75 -166.71 1.66 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.421 2.288 . . . . 73.31 114.533 -170.749 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -67.34 152.99 95.6 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 125.473 1.509 . . . . 75.3 113.072 170.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -66.99 165.64 25.57 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 124.003 3.136 . . . . 63.12 113.432 -176.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -71.36 139.69 35.35 Favored 'Trans proline' 0 N--CA 1.449 -1.091 0 C-N-CA 121.912 1.741 . . . . 72.02 112.947 -176.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.96 123.9 21.88 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 125.655 1.582 . . . . 64.21 108.047 171.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.63 145.85 31.47 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 124.548 1.139 . . . . 61.24 109.8 175.213 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.504 HG12 ' HB3' ' A' ' 23' ' ' ALA . 0.3 OUTLIER -128.28 19.34 2.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 124.797 1.239 . . . . 75.02 109.649 -172.295 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -173.01 31.07 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.554 1.542 . . . . 55.23 110.7 172.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.18 15.67 65.71 Favored Glycine 0 CA--C 1.535 1.325 0 O-C-N 120.613 -1.304 . . . . 73.0 114.752 -173.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.415 ' HE3' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -111.24 105.35 14.0 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 126.305 1.842 . . . . 75.12 109.049 173.705 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 58.5 m -69.91 115.01 8.64 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 118.83 -1.148 . . . . 74.42 109.286 168.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.7 mm -63.68 158.26 3.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 126.135 1.774 . . . . 71.0 110.166 -178.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -110.76 161.05 16.17 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 126.269 1.828 . . . . 75.0 109.403 172.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.7 t -122.2 138.44 52.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 106.968 -1.493 . . . . 61.01 106.968 173.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -132.87 163.22 29.59 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 125.506 1.523 . . . . 62.14 109.199 167.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -123.19 110.51 15.34 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.777 -1.194 . . . . 72.31 107.777 -178.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -112.72 71.12 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 107.375 -1.343 . . . . 74.2 107.375 175.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.41 ' HE2' ' OD2' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -70.83 160.57 32.52 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.897 -1.149 . . . . 63.03 107.897 167.896 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.3 -72.24 0.7 Allowed Glycine 0 CA--C 1.519 0.296 0 N-CA-C 109.912 -1.275 . . . . 15.23 109.912 169.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.4 m . . . . . 0 C--O 1.249 1.045 0 C-N-CA 127.447 2.299 . . . . 71.04 113.611 -176.858 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.523 0 N-CA-C 111.319 -0.712 . . . . 71.32 111.319 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -54.97 -37.71 66.86 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 126.926 2.091 . . . . 64.04 112.539 -167.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.2 133.87 25.13 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 105.243 -2.132 . . . . 74.02 105.243 173.312 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 43.38 83.5 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 129.245 3.018 . . . . 74.02 109.656 152.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.492 ' HB ' ' HB3' ' A' ' 85' ' ' ALA . 57.9 m -115.46 150.68 36.08 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 112.724 -2.035 . . . . 71.35 106.31 -175.068 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.0 mt -112.81 133.98 56.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 104.31 -2.478 . . . . 61.21 104.31 166.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.2 mt -107.56 140.73 24.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 105.748 -1.945 . . . . 71.34 105.748 174.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -114.11 154.35 27.92 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.436 -0.95 . . . . 54.21 108.436 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -133.41 178.3 7.02 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.135 0.974 . . . . 72.1 110.3 172.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 40.6 t30 54.48 50.04 17.0 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 125.71 1.604 . . . . 75.14 111.187 175.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.5 mt -86.22 121.7 29.18 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 105.651 -1.981 . . . . 74.41 105.651 169.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -57.11 152.04 31.95 Favored Pre-proline 0 C--O 1.235 0.33 0 N-CA-C 109.158 -0.682 . . . . 73.13 109.158 169.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.37 -37.04 32.4 Favored 'Trans proline' 0 N--CA 1.446 -1.284 0 C-N-CA 121.784 1.656 . . . . 75.4 110.901 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -92.01 13.89 17.41 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.165 0.586 . . . . 73.02 112.024 -177.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.5 m -93.75 165.47 12.68 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 120.55 -1.343 . . . . 74.31 109.117 162.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 p -135.09 -178.12 4.95 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 125.811 1.645 . . . . 73.02 106.865 144.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 ptm -50.52 -34.17 24.31 Favored 'General case' 0 C--O 1.217 -0.616 0 C-N-CA 126.321 1.849 . . . . 53.22 111.11 167.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.05 -28.32 66.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 118.514 0.597 . . . . 70.22 111.685 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 m -111.15 24.17 13.21 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 123.848 0.859 . . . . 73.44 112.126 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 52.7 mt -132.32 -34.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.07 0 C-N-CA 123.968 0.907 . . . . 75.44 109.427 173.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.9 mt -51.81 -46.38 64.26 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 122.916 0.486 . . . . 73.4 109.911 169.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.96 14.96 5.52 Favored Glycine 0 CA--C 1.534 1.226 0 CA-C-O 118.384 -1.231 . . . . 62.2 115.367 -173.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -150.65 -40.49 0.13 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 119.952 1.876 . . . . 51.23 111.202 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.64 21.71 4.54 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.087 1.355 . . . . 75.02 111.375 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.54 53.67 0.71 Allowed Pre-proline 0 CA--C 1.547 0.828 0 CA-C-N 119.541 1.064 . . . . 74.01 112.388 171.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.428 ' HG2' ' CE1' ' A' ' 27' ' ' TYR . 80.5 Cg_endo -76.06 -14.43 18.91 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 122.95 2.434 . . . . 71.01 111.756 169.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.428 ' CE1' ' HG2' ' A' ' 26' ' ' PRO . 0.5 OUTLIER -124.41 -79.6 0.61 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.509 1.524 . . . . 63.04 107.337 -176.591 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.92 106.02 14.4 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 123.637 0.775 . . . . 72.32 109.676 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.1 t -87.0 86.5 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 105.94 -1.874 . . . . 74.42 105.94 169.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.4 mt -66.4 154.22 40.71 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.029 0.532 . . . . 72.24 109.857 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.63 23.45 0.42 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.099 1.36 . . . . 71.25 112.056 -173.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.7 t 55.29 -60.41 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.057 2.143 . . . . 73.22 112.802 -162.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.4 t -54.03 -24.54 17.41 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.287 2.235 . . . . 53.21 113.872 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -52.39 -31.26 33.16 Favored 'General case' 0 C--N 1.341 0.235 0 O-C-N 121.008 -1.057 . . . . 72.35 111.249 169.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.6 t -101.55 143.57 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 C-N-CA 124.973 1.309 . . . . 74.24 110.149 -164.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.66 94.28 3.82 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 126.167 1.787 . . . . 73.31 108.554 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.2 t -95.02 106.37 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 105.258 -2.127 . . . . 65.0 105.258 164.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.0 mt -76.69 152.05 5.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 107.355 -1.35 . . . . 75.04 107.355 172.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -129.13 143.98 51.05 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.828 0.851 . . . . 74.12 111.365 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -61.26 150.92 33.23 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.418 -0.355 . . . . 74.41 110.916 175.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -95.68 13.91 24.82 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.773 1.027 . . . . 72.41 113.773 176.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -124.08 -50.56 1.8 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 119.27 0.941 . . . . 73.4 109.149 -177.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.539 HG23 ' H ' ' A' ' 45' ' ' LEU . 15.3 t -92.38 -14.09 29.17 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.805 0.729 . . . . 55.53 110.783 178.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 71.74 -12.66 0.63 Allowed 'General case' 0 C--N 1.342 0.273 0 CA-C-O 116.731 -1.604 . . . . 74.41 114.269 -169.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.539 ' H ' HG23 ' A' ' 43' ' ' THR . 41.4 mt -62.64 174.45 1.01 Allowed 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 120.012 1.278 . . . . 74.21 110.642 -177.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -69.63 -165.73 0.09 Allowed 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 125.205 1.402 . . . . 75.13 109.977 170.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -108.12 -12.76 15.06 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.972 1.709 . . . . 62.41 112.389 168.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.93 14.17 58.19 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 123.808 0.718 . . . . 75.03 113.414 176.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -147.82 167.53 24.52 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 126.075 1.75 . . . . 74.12 106.709 169.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -149.3 178.25 8.93 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 123.92 0.888 . . . . 41.44 109.341 174.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -130.01 158.18 40.29 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.001 1.72 . . . . 74.22 107.542 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 58.3 mt -131.57 130.05 62.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 127.228 2.211 . . . . 75.33 105.417 170.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.17 124.93 52.45 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 106.393 -1.706 . . . . 71.02 106.393 172.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.03 -179.82 5.56 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 126.033 1.733 . . . . 74.03 108.616 179.15 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.46 151.05 13.94 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.715 -0.846 . . . . 61.34 108.715 160.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.3 m -44.87 -63.19 0.97 Allowed 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 126.388 1.875 . . . . 72.12 110.271 172.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 45.7 mt -65.48 -48.05 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 N-CA-C 108.864 -0.791 . . . . 74.01 108.864 -174.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -64.18 -42.48 96.67 Favored 'General case' 0 C--N 1.331 -0.197 0 O-C-N 121.825 -0.547 . . . . 71.42 111.688 -166.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.46 -53.22 24.21 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.168 0.987 . . . . 71.22 110.17 178.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.1 -45.78 91.97 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.921 0.889 . . . . 72.41 110.795 -178.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -59.13 -58.33 9.1 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 118.777 0.717 . . . . 73.02 110.627 -177.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.23 -45.07 92.11 Favored 'General case' 0 CA--C 1.518 -0.257 0 O-C-N 123.389 0.431 . . . . 51.41 110.196 -174.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.13 -46.25 65.3 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 119.709 -0.186 . . . . 74.04 111.291 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -62.41 -31.33 71.99 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 119.002 -0.523 . . . . 75.31 112.24 -176.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 68.6 mt -59.21 -59.24 4.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 C-N-CA 125.015 1.326 . . . . 73.34 108.358 179.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -48.87 -43.23 38.71 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.336 1.054 . . . . 64.12 110.745 173.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -78.3 18.26 0.56 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.07 1.348 . . . . 75.32 113.86 -177.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.4 -34.42 1.39 Allowed 'General case' 0 C--O 1.234 0.281 0 C-N-CA 124.094 0.958 . . . . 63.35 112.515 168.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 pp -75.84 -166.77 0.61 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.245 1.018 . . . . 75.02 111.541 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -53.99 165.15 0.82 Allowed Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 124.717 1.207 . . . . 74.02 112.875 173.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -65.6 167.54 16.9 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 122.716 2.277 . . . . 55.25 112.182 171.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -66.04 147.01 83.88 Favored 'Trans proline' 0 N--CA 1.455 -0.752 0 C-N-CA 122.696 2.264 . . . . 74.22 112.333 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.91 125.47 29.4 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 127.473 2.309 . . . . 64.01 109.058 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.7 t -84.65 154.96 22.21 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.494 1.117 . . . . 72.23 109.419 177.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.44 13.98 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 C-N-CA 124.408 1.083 . . . . 62.21 111.621 -173.179 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.7 18.58 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.614 1.566 . . . . 71.41 109.811 177.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.8 30.31 63.93 Favored Glycine 0 C--N 1.344 1.02 0 C-N-CA 124.636 1.113 . . . . 75.34 113.677 -173.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.92 98.33 5.3 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 126.807 2.043 . . . . 75.1 109.117 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 m -69.78 117.87 11.93 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 107.553 -1.277 . . . . 74.4 107.553 175.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 30.1 mm -61.01 153.98 4.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 123.988 0.915 . . . . 74.33 108.766 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.01 159.88 18.68 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.036 0.935 . . . . 62.02 109.067 166.344 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.6 t -133.47 137.42 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 125.431 1.492 . . . . 75.15 108.205 -176.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -125.75 149.98 48.1 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.599 -0.889 . . . . 75.01 108.599 158.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -77.37 150.06 35.15 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 105.907 -1.886 . . . . 75.13 105.907 153.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.492 ' HB3' ' HB ' ' A' ' 5' ' ' THR . . . -133.16 74.57 1.57 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 106.759 -1.571 . . . . 74.44 106.759 170.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -102.16 107.93 19.16 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 113.645 -1.616 . . . . 75.04 107.301 175.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.67 -54.84 8.01 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 109.938 -1.265 . . . . 62.42 109.938 173.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 C--O 1.245 0.858 0 C-N-CA 125.336 1.454 . . . . 71.14 110.965 -177.787 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.863 0 N-CA-C 109.757 -1.337 . . . . 74.01 109.757 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -73.76 90.1 1.84 Allowed 'General case' 0 CA--C 1.528 0.101 0 CA-C-N 118.72 1.26 . . . . 64.21 108.098 165.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 59.4 mtp -88.38 102.61 15.04 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 106.596 -1.631 . . . . 70.31 106.596 -177.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 74.73 98.32 0.07 Allowed 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 128.2 2.6 . . . . 73.14 110.833 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.8 m -146.13 128.66 16.03 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 125.186 1.395 . . . . 62.3 107.945 172.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 55.3 mt -88.6 124.5 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 104.897 -2.26 . . . . 74.0 104.897 167.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.3 mt -92.37 145.55 7.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 106.942 -1.503 . . . . 64.22 106.942 172.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.0 mt -111.93 156.45 22.06 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 108.546 -0.909 . . . . 73.0 108.546 163.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.433 ' HB2' ' HB2' ' A' ' 81' ' ' ASN . 15.4 mtp180 -144.04 168.92 18.85 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 127.094 2.157 . . . . 63.01 108.634 -175.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.6 t30 59.24 30.95 20.79 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.806 1.242 . . . . 54.55 111.652 -176.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.49 HD23 ' HA ' ' A' ' 49' ' ' PHE . 0.8 OUTLIER -69.75 119.52 14.1 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 105.613 -1.995 . . . . 74.33 105.613 167.691 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -68.51 154.22 94.7 Favored Pre-proline 0 C--O 1.234 0.244 0 N-CA-C 106.994 -1.484 . . . . 62.14 106.994 170.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -74.71 -14.93 21.77 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 122.627 2.218 . . . . 74.25 112.953 -172.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -78.26 -22.14 48.78 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.208 0.603 . . . . 73.32 111.766 -176.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.5 m -82.59 168.81 16.97 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.941 -0.763 . . . . 72.21 108.941 165.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.491 HG23 ' H ' ' A' ' 17' ' ' MET . 7.2 t -125.64 -74.17 0.61 Allowed 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 106.128 -1.804 . . . . 64.32 106.128 173.073 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.491 ' H ' HG23 ' A' ' 16' ' ' THR . 9.8 ptt? -153.8 -48.0 0.09 Allowed 'General case' 0 CA--C 1.512 -0.518 0 C-N-CA 124.098 0.959 . . . . 74.32 109.323 178.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.97 -28.41 68.98 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.827 0.851 . . . . 54.31 112.292 -177.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 m -59.68 -35.5 74.59 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.55 1.14 . . . . 63.34 111.326 174.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.2 mp -93.4 -35.44 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.03 1.332 . . . . 73.31 108.718 -176.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.426 HD21 HG21 ' A' ' 35' ' ' VAL . 61.1 mt -59.44 -36.84 76.68 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-O 118.523 -0.751 . . . . 71.15 111.039 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.57 14.94 64.16 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-O 117.481 -1.733 . . . . 72.42 113.927 -178.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.16 -34.2 0.43 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.44 1.62 . . . . 74.12 113.758 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 tp -93.95 14.74 18.71 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.221 1.408 . . . . 72.24 111.254 -176.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.71 53.47 0.93 Allowed Pre-proline 0 CA--C 1.544 0.728 0 N-CA-C 114.752 1.39 . . . . 73.52 114.752 -170.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -70.41 -24.49 26.65 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 121.908 1.738 . . . . 65.03 112.909 169.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -124.9 -24.48 4.08 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 120.262 1.392 . . . . 70.44 113.784 -174.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.83 108.28 5.56 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 108.24 -1.022 . . . . 65.24 108.24 170.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.1 t -80.05 120.84 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 N-CA-C 106.283 -1.747 . . . . 64.31 106.283 160.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -97.2 -178.73 4.28 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.07 0.948 . . . . 65.42 111.03 169.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.0 m -110.47 160.35 16.68 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.39 1.476 . . . . 70.53 109.624 163.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.1 p -62.94 -24.66 67.97 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 121.179 -0.95 . . . . 73.43 111.614 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.5 p -56.02 -46.1 78.92 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.829 0.851 . . . . 71.53 110.964 170.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -83.89 -26.26 29.55 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 125.031 1.333 . . . . 65.34 109.768 -170.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.426 HG21 HD21 ' A' ' 21' ' ' LEU . 45.4 t -91.47 87.89 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 C-N-CA 124.6 1.16 . . . . 63.21 109.532 172.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.72 115.39 4.72 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.007 -0.997 . . . . 50.42 108.32 169.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.472 HG21 ' HB3' ' A' ' 17' ' ' MET . 46.6 t -117.04 131.66 69.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 125.196 1.398 . . . . 64.11 108.679 162.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.0 mt -87.9 130.24 37.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 105.429 -2.063 . . . . 44.34 105.429 163.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.42 147.46 35.19 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 108.45 -0.944 . . . . 72.34 108.45 168.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -65.74 161.06 21.58 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.465 1.106 . . . . 73.13 110.576 171.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.9 ttmt -115.02 14.68 17.19 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 120.422 -1.423 . . . . 72.42 113.025 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -130.35 -42.29 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 126.359 1.864 . . . . 63.0 110.198 -172.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.587 HG23 ' H ' ' A' ' 45' ' ' LEU . 14.5 t -102.39 -14.4 16.91 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.489 1.115 . . . . 71.34 109.288 173.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 73.11 -13.73 0.67 Allowed 'General case' 0 C--O 1.234 0.271 0 C-N-CA 127.187 2.195 . . . . 73.55 114.178 -170.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.587 ' H ' HG23 ' A' ' 43' ' ' THR . 30.8 mt -60.36 178.07 0.23 Allowed 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.181 1.355 . . . . 74.52 113.276 -170.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -95.0 164.73 12.77 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 120.349 -1.469 . . . . 73.43 109.192 169.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -78.55 -14.04 59.54 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.04 1.126 . . . . 74.11 114.04 -173.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.77 14.14 25.9 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 125.969 1.747 . . . . 73.03 113.832 -178.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.49 ' HA ' HD23 ' A' ' 11' ' ' LEU . 28.5 p90 -151.74 172.79 15.57 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 121.091 -1.24 . . . . 73.31 109.215 178.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -153.11 168.67 25.15 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.333 1.453 . . . . 73.02 108.693 170.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -131.2 120.24 22.99 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 124.846 1.259 . . . . 71.4 107.96 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.0 mt -91.97 118.11 36.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 126.853 2.061 . . . . 62.12 107.085 174.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -95.31 129.79 42.32 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.466 1.507 . . . . 65.32 107.195 173.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.9 mt -135.89 -154.86 0.59 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.025 1.73 . . . . 63.24 108.213 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 t -98.08 163.85 12.58 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.082 1.353 . . . . 71.3 108.544 173.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 58.3 p -61.74 -14.94 36.74 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.264 1.826 . . . . 74.24 115.22 -172.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.3 mt -118.02 -43.67 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 125.713 1.605 . . . . 74.43 108.5 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -56.62 -47.64 79.22 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 124.391 1.076 . . . . 74.21 110.09 -175.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.72 -53.05 43.66 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.463 0.574 . . . . 71.13 110.668 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.34 -51.44 68.81 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.109 0.963 . . . . 71.22 111.112 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -61.51 -49.83 75.17 Favored 'General case' 0 C--O 1.231 0.106 0 O-C-N 121.563 -0.711 . . . . 74.04 111.056 -175.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -44.47 96.21 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.49 1.116 . . . . 73.12 109.814 -177.519 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.9 tp -52.73 -46.52 67.46 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 109.989 -0.374 . . . . 73.21 109.989 178.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -62.62 -27.87 69.51 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 113.578 0.955 . . . . 61.4 113.578 -176.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 63.9 mt -61.51 -62.15 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 107.486 -1.301 . . . . 54.21 107.486 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -57.24 -30.34 64.54 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 118.759 0.709 . . . . 65.33 112.696 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -75.9 -25.99 56.58 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 121.682 -0.637 . . . . 72.14 112.397 176.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.19 -29.58 28.44 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 112.618 0.599 . . . . 73.03 112.618 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 pp -93.13 -163.43 1.05 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.039 1.336 . . . . 62.41 110.95 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -57.51 159.11 9.67 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 123.787 0.835 . . . . 73.22 111.586 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -63.34 167.49 12.82 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.414 2.743 . . . . 70.03 112.556 176.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -62.9 158.49 42.7 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.573 2.848 . . . . 73.42 111.966 -178.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.09 179.95 4.71 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 123.103 1.43 . . . . 74.44 111.707 175.338 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.58 152.72 50.56 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 126.833 2.053 . . . . 70.23 106.44 171.316 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -133.05 14.52 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 124.754 1.222 . . . . 44.22 110.327 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -173.94 28.0 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.918 0 O-C-N 120.927 -1.108 . . . . 65.34 111.16 -175.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.43 21.21 77.44 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-O 118.016 -1.435 . . . . 44.41 114.051 -173.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.493 ' HD3' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -116.86 109.86 17.62 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 120.468 2.134 . . . . 64.22 108.619 174.544 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 m -66.91 115.03 6.21 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 121.044 1.747 . . . . 72.04 107.53 170.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.3 mm -56.07 142.78 10.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 108.392 -0.966 . . . . 74.35 108.392 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.433 ' HB2' ' HB2' ' A' ' 9' ' ' ARG . 8.7 m-20 -96.17 152.28 18.7 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 106.47 -1.678 . . . . 43.14 106.47 166.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.9 t -123.65 144.2 34.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 106.661 -1.607 . . . . 71.34 106.661 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -141.57 167.65 21.66 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 125.613 1.565 . . . . 64.22 108.996 173.055 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -126.85 95.34 4.29 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 124.734 1.214 . . . . 72.03 110.071 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.88 79.5 6.4 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 122.481 1.134 . . . . 42.14 108.437 169.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -94.8 90.94 6.23 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 124.594 1.158 . . . . 74.22 108.445 172.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.88 75.76 0.89 Allowed Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.406 -1.478 . . . . 53.51 109.406 167.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.1 m . . . . . 0 C--O 1.251 1.175 0 N-CA-C 108.285 -1.005 . . . . 64.0 108.285 154.956 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.616 0 N-CA-C 110.698 -0.961 . . . . 74.03 110.698 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 55.0 p-80 -141.61 69.2 1.33 Allowed 'General case' 0 C--O 1.231 0.113 0 CA-C-N 118.723 1.262 . . . . 75.21 108.714 171.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 60.3 mtt -58.49 128.51 37.52 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 107.423 -1.325 . . . . 72.23 107.423 168.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 75.25 94.53 0.07 Allowed 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 126.702 2.001 . . . . 63.0 112.279 164.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.1 m -144.72 143.07 30.52 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 106.201 -1.778 . . . . 74.14 106.201 170.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.4 mt -115.24 121.19 66.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 N-CA-C 103.787 -2.672 . . . . 61.03 103.787 174.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.498 ' HB ' ' HG3' ' A' ' 83' ' ' GLU . 26.2 mt -98.32 147.11 7.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 N-CA-C 105.642 -1.984 . . . . 63.35 105.642 177.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.403 ' HB3' HD21 ' A' ' 11' ' ' LEU . 10.9 mp -112.77 150.31 31.78 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 125.061 1.344 . . . . 60.42 107.379 173.009 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -134.14 170.28 15.91 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.377 1.071 . . . . 75.24 109.161 -177.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.7 t30 67.3 17.22 10.21 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 126.287 1.835 . . . . 70.14 112.17 178.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.572 HD23 ' HA ' ' A' ' 49' ' ' PHE . 0.6 OUTLIER -64.45 133.4 52.42 Favored 'General case' 0 N--CA 1.446 -0.652 0 O-C-N 119.727 -1.858 . . . . 74.43 106.95 171.707 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -69.16 157.37 89.47 Favored Pre-proline 0 N--CA 1.443 -0.816 0 C-N-CA 124.567 1.147 . . . . 75.11 109.235 169.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -59.78 -35.37 94.53 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.87 2.38 . . . . 75.11 111.239 176.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -77.03 -14.11 59.87 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.535 1.134 . . . . 65.31 113.346 -178.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.93 158.31 4.97 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 119.923 1.238 . . . . 74.22 109.698 -178.129 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.0 t -144.55 154.76 43.2 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 106.777 -1.564 . . . . 71.41 106.777 167.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.4 ptp -65.71 -29.23 69.74 Favored 'General case' 0 C--O 1.211 -0.933 0 C-N-CA 124.162 0.985 . . . . 73.55 109.451 -172.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -70.48 -33.2 70.97 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.583 0.706 . . . . 74.24 109.99 -178.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.8 t -78.78 -47.97 15.71 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.225 1.41 . . . . 43.32 108.66 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mt -55.15 -45.85 77.4 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 N-CA-C 109.166 -0.679 . . . . 62.13 109.166 171.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.2 mt -61.45 -20.35 63.03 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.189 0.904 . . . . 74.52 112.888 177.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.57 -15.07 57.5 Favored Glycine 0 CA--C 1.527 0.798 0 CA-C-N 119.195 0.907 . . . . 73.43 113.968 -178.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -142.6 12.98 1.93 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 119.143 1.471 . . . . 71.11 113.716 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.4 tp -129.11 29.26 5.19 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.763 1.225 . . . . 74.41 109.187 170.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.509 ' HB1' HG22 ' A' ' 29' ' ' VAL . . . -114.95 52.66 0.71 Allowed Pre-proline 0 CA--C 1.557 1.226 0 C-N-CA 124.421 1.088 . . . . 43.15 113.035 176.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.444 ' HG2' ' CE2' ' A' ' 27' ' ' TYR . 53.1 Cg_endo -77.7 -21.51 11.21 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.953 2.435 . . . . 74.25 114.563 173.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.444 ' CE2' ' HG2' ' A' ' 26' ' ' PRO . 1.7 m-85 -134.59 -58.12 0.83 Allowed 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.928 1.24 . . . . 74.03 109.685 -174.568 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.86 149.96 27.62 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.011 0.924 . . . . 60.04 109.453 176.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.509 HG22 ' HB1' ' A' ' 25' ' ' ALA . 3.2 t -144.2 101.68 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 106.461 -1.681 . . . . 75.25 106.461 -173.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -72.74 163.4 28.16 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 112.429 0.529 . . . . 71.23 112.429 -172.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.9 m -90.18 33.0 0.89 Allowed 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.363 1.465 . . . . 72.54 112.511 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.61 -61.95 0.39 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.851 1.66 . . . . 71.13 112.215 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 t -56.6 -34.71 67.48 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.628 1.558 . . . . 73.22 112.037 -177.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -52.92 -24.56 9.52 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.337 1.055 . . . . 71.44 112.908 177.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.6 t -98.9 133.54 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-O 122.035 0.921 . . . . 75.53 109.138 -173.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.09 86.89 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 126.577 1.951 . . . . 61.52 107.386 173.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.1 t -85.28 102.4 11.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 N-CA-C 104.852 -2.277 . . . . 73.22 104.852 161.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.4 mt -75.39 131.02 35.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 105.85 -1.907 . . . . 74.12 105.85 169.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -119.67 160.41 22.57 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.092 1.357 . . . . 75.45 110.457 169.788 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -79.02 158.53 27.89 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 112.039 0.385 . . . . 71.35 112.039 -169.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -30.53 65.41 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 114.764 1.394 . . . . 75.34 114.764 176.009 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -102.01 -52.72 3.1 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 108.489 -0.93 . . . . 71.43 108.489 -176.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.9 p -78.97 -17.97 54.51 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 120.618 -0.433 . . . . 61.42 111.1 -168.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 57.32 14.77 2.29 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.298 1.839 . . . . 75.42 112.579 -167.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.9 mt -96.67 150.05 21.11 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 123.467 0.707 . . . . 64.45 109.115 -177.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 5.7 m-20 -62.19 163.28 8.41 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 123.148 0.579 . . . . 62.33 110.923 -177.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -84.73 14.51 4.64 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.017 -1.052 . . . . 62.35 112.59 171.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.36 12.74 64.03 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 126.277 1.894 . . . . 55.14 115.956 173.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.572 ' HA ' HD23 ' A' ' 11' ' ' LEU . 8.0 p90 -141.84 163.0 34.08 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 126.117 1.767 . . . . 61.22 107.363 163.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -145.06 165.81 27.16 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.069 -1.086 . . . . 60.34 108.069 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -132.14 129.68 40.16 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.714 -1.587 . . . . 74.42 106.714 -170.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.3 mt -97.72 131.41 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 106.038 -1.838 . . . . 71.34 106.038 171.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -108.68 99.86 9.17 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 105.033 -2.21 . . . . 74.51 105.033 174.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.6 mt -120.07 171.66 8.3 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 124.313 1.045 . . . . 75.43 108.566 173.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 m -72.07 166.67 21.81 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 127.076 2.151 . . . . 63.03 111.727 -172.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.3 m -61.95 -32.98 73.45 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.968 0.907 . . . . 51.43 111.659 -174.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 58.9 mt -82.09 -53.94 10.82 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.156 0 O-C-N 121.532 -0.73 . . . . 75.34 109.127 170.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -65.18 -45.3 85.4 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 122.591 0.357 . . . . 71.13 111.288 -160.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.5 -48.7 79.88 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.385 -0.598 . . . . 75.44 109.385 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.72 -53.39 58.32 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.673 0.789 . . . . 73.42 111.139 179.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -58.98 -58.68 7.6 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 123.577 0.751 . . . . 51.3 109.899 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -52.01 -53.39 42.33 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.995 0.918 . . . . 71.23 109.15 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -51.81 -51.34 57.21 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 118.429 0.559 . . . . 75.24 110.176 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -61.09 -37.24 82.02 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 120.135 -0.626 . . . . 72.43 109.703 -171.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 57.6 mt -55.4 -53.68 33.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.76 1.224 . . . . 65.03 109.62 173.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -58.42 -26.95 63.84 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.653 1.115 . . . . 71.41 112.728 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -85.46 13.1 7.18 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.099 0.96 . . . . 61.13 112.612 -175.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -141.65 14.5 2.14 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.339 0.656 . . . . 71.01 112.246 -174.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 pp -142.99 -178.6 5.91 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.659 1.184 . . . . 65.01 112.274 -167.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -64.21 145.28 98.21 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 126.289 1.836 . . . . 71.31 112.877 -175.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -67.67 162.94 37.1 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 122.88 2.387 . . . . 61.04 113.443 -167.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -68.16 151.66 76.85 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.718 2.278 . . . . 72.53 112.027 -173.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -87.95 134.48 33.71 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.672 1.989 . . . . 70.11 107.239 175.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.8 t -83.9 161.33 20.89 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.069 -1.019 . . . . 65.14 110.856 -176.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -132.49 13.56 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 123.851 0.86 . . . . 73.31 110.949 -179.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -171.68 41.07 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 107.443 -1.317 . . . . 72.23 107.443 171.521 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.66 -13.72 1.6 Allowed Glycine 0 CA--C 1.534 1.272 0 O-C-N 120.269 -1.519 . . . . 71.45 115.058 -177.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.54 108.35 17.26 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 119.841 1.821 . . . . 72.54 111.28 178.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.93 128.64 37.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 121.009 1.732 . . . . 45.03 109.845 177.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.4 mm -66.83 165.2 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 124.119 0.968 . . . . 74.11 109.387 -177.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -130.06 158.18 40.32 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 126.078 1.751 . . . . 65.13 108.251 170.042 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.2 t -124.36 151.97 29.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 125.787 1.635 . . . . 54.32 108.026 -175.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.498 ' HG3' ' HB ' ' A' ' 7' ' ' ILE . 1.5 pt-20 -151.68 175.35 12.47 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.573 1.949 . . . . 74.04 110.571 168.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -134.21 89.05 2.52 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 125.847 1.659 . . . . 63.23 107.114 -173.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.61 64.32 8.45 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 107.471 -1.307 . . . . 62.23 107.471 174.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.93 74.78 6.66 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 106.484 -1.673 . . . . 75.01 106.484 177.193 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -75.23 72.13 1.69 Allowed Glycine 0 C--N 1.334 0.428 0 C-N-CA 125.704 1.621 . . . . 43.43 110.279 -173.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 116.543 -1.694 . . . . 73.41 110.036 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.604 0 N-CA-C 110.244 -1.142 . . . . 74.42 110.244 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -54.81 -35.85 64.34 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 122.973 0.509 . . . . 62.3 111.436 171.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.37 82.88 1.3 Allowed 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.005 -0.739 . . . . 72.12 109.005 173.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.509 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 0.2 OUTLIER 174.78 109.0 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.613 1.565 . . . . 62.21 107.792 167.887 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.4 m -133.03 140.63 47.83 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 125.791 1.637 . . . . 63.21 107.15 172.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 55.5 mt -104.96 136.94 36.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 N-CA-C 105.237 -2.134 . . . . 75.23 105.237 163.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.6 mp -110.63 157.53 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 106.855 -1.535 . . . . 73.32 106.855 168.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.475 HD23 HG21 ' A' ' 80' ' ' ILE . 5.1 mp -126.84 153.01 46.22 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.01 1.324 . . . . 73.53 107.512 176.004 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -132.3 163.96 27.5 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.375 -0.602 . . . . 62.12 109.375 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 62.6 t30 67.1 42.33 2.38 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.262 1.425 . . . . 72.31 111.911 177.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.75 112.04 18.55 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 106.978 -1.489 . . . . 64.12 106.978 174.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.447 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 1.6 m-20 -53.17 153.41 6.67 Favored Pre-proline 0 N--CA 1.471 0.586 0 N-CA-C 108.998 -0.741 . . . . 75.35 108.998 174.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -58.08 -38.12 92.94 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.843 2.362 . . . . 73.41 110.929 175.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -62.0 -13.7 28.23 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.845 2.058 . . . . 74.15 115.51 175.418 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.0 m -84.14 166.33 17.71 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 120.205 1.366 . . . . 60.34 110.326 176.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.512 HG23 ' H ' ' A' ' 17' ' ' MET . 10.2 t -147.29 -74.69 0.2 Allowed 'General case' 0 C--O 1.233 0.19 0 O-C-N 121.507 -0.746 . . . . 73.52 109.101 173.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.512 ' H ' HG23 ' A' ' 16' ' ' THR . 53.4 ttp -160.67 -57.22 0.05 Allowed 'General case' 0 CA--C 1.508 -0.666 0 C-N-CA 126.181 1.793 . . . . 72.33 108.596 178.363 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -56.59 -35.92 68.79 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.541 -0.754 . . . . 42.44 110.398 -176.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.3 m -83.18 23.19 0.9 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 123.229 1.49 . . . . 65.53 114.801 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 54.9 mt -135.11 -47.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 C-N-CA 128.336 2.654 . . . . 70.25 106.967 177.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.5 mt -65.72 -15.64 63.01 Favored 'General case' 0 C--O 1.226 -0.163 0 N-CA-C 114.628 1.344 . . . . 71.35 114.628 -174.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -88.08 -13.94 63.34 Favored Glycine 0 CA--C 1.531 1.034 0 CA-C-O 119.0 -0.889 . . . . 63.44 113.68 171.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.44 ' HB3' HG12 ' A' ' 75' ' ' ILE . . . -134.47 -16.17 2.1 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 114.732 1.382 . . . . 61.11 114.732 -161.278 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.5 tp -113.21 22.47 14.26 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.566 1.946 . . . . 74.51 109.33 174.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -123.61 55.18 8.24 Favored Pre-proline 0 CA--C 1.543 0.675 0 C-N-CA 125.764 1.626 . . . . 71.14 111.99 -174.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -69.15 -48.54 0.82 Allowed 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 121.997 1.798 . . . . 64.33 110.825 170.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -104.43 -24.23 13.08 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.963 1.705 . . . . 61.42 113.607 -177.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -137.3 102.07 4.7 Favored 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 123.295 0.638 . . . . 45.13 110.635 -178.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.1 t -69.9 129.12 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 N-CA-C 105.582 -2.007 . . . . 64.53 105.582 151.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.7 mt -98.4 161.31 13.75 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.672 -1.233 . . . . 74.24 107.672 165.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.3 m -72.01 -69.38 0.4 Allowed 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 108.547 -0.908 . . . . 60.44 108.547 -172.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.4 m 174.92 -46.59 0.01 OUTLIER 'General case' 0 C--O 1.227 -0.103 0 C-N-CA 130.042 3.337 . . . . 62.35 107.187 168.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.5 p -61.64 -24.24 66.59 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.886 0.767 . . . . 75.32 112.449 -177.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -53.02 -34.29 55.69 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 125.486 1.514 . . . . 71.51 112.321 171.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.4 t -97.4 109.47 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 123.68 0.792 . . . . 72.51 108.946 -166.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.57 123.65 38.13 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 107.934 -1.136 . . . . 73.15 107.934 170.067 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.416 HG22 ' HB1' ' A' ' 50' ' ' ALA . 10.6 t -128.43 111.42 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 106.447 -1.686 . . . . 72.13 106.447 169.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.3 mt -64.41 116.1 3.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 106.264 -1.754 . . . . 73.23 106.264 174.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.82 147.64 26.63 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.9 -1.148 . . . . 71.53 107.9 170.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.65 164.75 9.2 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.605 0.595 . . . . 74.25 112.605 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -79.68 -52.29 8.14 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 121.4 -0.813 . . . . 64.44 110.828 170.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.81 -50.43 7.14 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 109.252 -0.647 . . . . 73.55 109.252 -175.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.7 p -81.46 -16.7 51.18 Favored 'General case' 0 C--N 1.334 -0.079 0 C-N-CA 119.444 -0.902 . . . . 61.53 110.995 -166.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 66.04 14.63 9.71 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 127.307 2.243 . . . . 62.35 113.375 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.9 mt -111.65 158.27 19.46 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 120.083 1.31 . . . . 64.13 111.439 -172.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -60.67 156.9 15.7 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.585 0.754 . . . . 71.52 109.675 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -82.3 16.04 2.19 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.977 0.732 . . . . 63.33 112.977 173.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.93 13.08 82.84 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 125.445 1.498 . . . . 55.13 114.799 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -147.55 162.27 39.42 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 125.438 1.495 . . . . 72.11 108.551 171.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.416 ' HB1' HG22 ' A' ' 37' ' ' VAL . . . -148.92 171.3 16.55 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 126.059 1.744 . . . . 74.43 109.176 -175.583 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -141.59 153.98 45.14 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.317 1.447 . . . . 74.25 108.809 -172.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.9 mt -130.52 130.39 64.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 C-N-CA 127.716 2.407 . . . . 75.31 108.566 175.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -109.76 121.63 45.66 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 126.373 1.869 . . . . 72.25 107.37 177.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.725 ' HB2' ' HB2' ' A' ' 59' ' ' ALA . 22.1 mt -137.81 179.39 6.46 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 126.548 1.939 . . . . 71.35 108.994 -177.292 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.5 t -65.87 165.88 12.2 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.716 0.807 . . . . 61.33 110.435 170.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 59.9 m -54.35 -24.62 20.16 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 131.458 3.903 . . . . 64.32 116.167 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.4 mm -119.33 -31.52 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 124.424 1.09 . . . . 75.03 109.911 -173.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -66.53 -49.9 64.96 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 125.026 1.331 . . . . 52.25 110.686 -174.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.725 ' HB2' ' HB2' ' A' ' 54' ' ' LEU . . . -59.32 -45.75 90.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.575 -0.726 . . . . 75.54 109.242 -179.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.78 -64.86 0.73 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.784 0.834 . . . . 74.02 110.484 174.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -51.34 -53.45 36.0 Favored 'General case' 0 N--CA 1.461 0.1 0 CA-C-N 118.76 0.709 . . . . 72.44 111.01 -175.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.62 -41.57 83.75 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.997 0.362 . . . . 72.44 110.914 -175.057 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -53.74 -48.12 69.97 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 121.489 -0.757 . . . . 75.22 109.372 174.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -59.89 -38.54 82.55 Favored 'General case' 0 N--CA 1.445 -0.689 0 O-C-N 123.95 0.781 . . . . 64.02 108.98 -170.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . 0.28 73.6 mt -47.63 -67.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.127 0 C-N-CA 126.291 1.836 . . . . 74.13 110.383 173.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -58.88 -20.63 53.09 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.761 1.164 . . . . 74.03 113.654 -177.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -95.12 -14.73 23.92 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.311 -0.868 . . . . 61.15 112.085 -178.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -115.8 14.55 16.32 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.848 1.259 . . . . 72.15 111.631 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.2 pp -135.24 138.66 43.77 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 107.926 -1.138 . . . . 63.41 107.926 164.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . 0.27 0.6 OUTLIER 49.75 166.93 0.03 OUTLIER Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 127.494 2.317 . . . . 70.45 116.499 160.361 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -73.01 155.32 52.83 Favored 'Trans proline' 0 N--CA 1.448 -1.174 0 O-C-N 118.718 -1.254 . . . . 71.24 109.442 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -61.51 149.31 90.24 Favored 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 122.367 2.045 . . . . 71.05 111.457 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.79 HD13 ' H ' ' A' ' 74' ' ' THR . 0.4 OUTLIER -94.36 174.46 7.12 Favored 'General case' 0 C--O 1.238 0.5 0 C-N-CA 125.197 1.399 . . . . 72.33 108.032 -171.509 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.79 ' H ' HD13 ' A' ' 73' ' ' LEU . 8.2 t -148.13 156.66 42.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.162 -0.961 . . . . 71.22 109.24 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.44 HG12 ' HB3' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -131.79 14.49 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 124.025 0.93 . . . . 73.45 110.128 177.183 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -166.82 31.21 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.332 -0.855 . . . . 74.45 111.848 177.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.56 13.49 31.11 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 126.028 1.775 . . . . 64.15 114.935 -170.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.447 ' HE3' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -101.37 107.04 18.27 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 125.398 1.479 . . . . 71.23 108.724 168.828 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.4 112.69 4.17 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 108.293 -1.003 . . . . 72.13 108.293 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.475 HG21 HD23 ' A' ' 8' ' ' LEU . 28.0 mm -76.5 121.85 29.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 N-CA-C 107.413 -1.329 . . . . 72.54 107.413 -173.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -76.81 157.96 31.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.313 -0.858 . . . . 74.12 108.844 172.614 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.6 t -140.49 134.34 34.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 106.841 -1.54 . . . . 60.05 106.841 -175.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -132.71 167.0 20.9 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 127.237 2.215 . . . . 72.13 109.446 -173.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -136.67 80.72 1.83 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.982 0.913 . . . . 61.01 109.59 -168.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.36 86.11 7.4 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 122.713 1.244 . . . . 55.34 108.607 174.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -70.75 144.62 50.86 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.929 -1.138 . . . . 53.15 107.929 168.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.72 100.3 0.82 Allowed Glycine 0 CA--C 1.519 0.296 0 N-CA-C 106.945 -2.462 . . . . 73.03 106.945 170.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 C--O 1.256 1.443 0 N-CA-C 104.271 -2.492 . . . . 73.45 104.271 -179.181 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.77 0 N-CA-C 108.702 -1.759 . . . . 64.42 108.702 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -130.22 -72.47 0.57 Allowed 'General case' 0 C--N 1.341 0.237 0 CA-C-N 118.548 1.174 . . . . 75.43 111.43 178.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.9 ttm -167.24 93.07 0.42 Allowed 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 103.414 -2.81 . . . . 74.43 103.414 174.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 42.63 83.23 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 131.038 3.735 . . . . 71.31 107.757 168.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 51.6 m -126.95 124.14 38.78 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.998 1.319 . . . . 63.32 108.27 -170.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.2 mt -95.42 122.79 47.21 Favored 'Isoleucine or valine' 0 C--N 1.34 0.154 0 N-CA-C 106.922 -1.51 . . . . 74.32 106.922 175.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.7 mp -99.43 140.49 18.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 107.931 -1.137 . . . . 72.55 107.931 173.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.9 mt -103.98 160.29 14.94 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 124.456 1.102 . . . . 74.52 109.056 171.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.457 ' HB2' ' HB2' ' A' ' 81' ' ' ASN . 13.3 mtp180 -140.74 175.4 9.64 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.049 1.74 . . . . 73.52 108.409 -176.162 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.3 t30 49.62 42.0 22.48 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 122.881 1.324 . . . . 74.3 111.181 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.573 HD23 HD12 ' A' ' 80' ' ' ILE . 40.7 mt -84.19 121.84 28.03 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 104.564 -2.384 . . . . 71.34 104.564 170.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.659 ' H ' ' HE2' ' A' ' 78' ' ' LYS . 1.3 m-20 -69.98 152.45 95.89 Favored Pre-proline 0 CA--C 1.519 -0.235 0 N-CA-C 108.194 -1.039 . . . . 54.21 108.194 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.508 ' HB2' HD22 ' A' ' 45' ' ' LEU . 57.5 Cg_endo -63.1 -32.12 75.26 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 123.383 2.722 . . . . 75.5 111.644 178.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 -69.63 -12.96 62.06 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.454 1.902 . . . . 65.51 113.675 174.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.2 m -80.75 153.88 27.54 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 122.584 1.183 . . . . 32.21 110.919 170.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.8 t -121.34 168.63 11.44 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 128.851 2.86 . . . . 53.21 104.634 166.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.0 ttp -46.1 -52.9 11.26 Favored 'General case' 0 C--O 1.211 -0.934 0 C-N-CA 125.608 1.563 . . . . 72.31 107.508 169.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -64.3 -16.06 61.42 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.43 1.27 . . . . 74.3 114.43 -172.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.95 -56.29 4.8 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.717 0.77 . . . . 63.34 109.4 168.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.2 mt -72.08 -52.7 23.15 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.216 0 N-CA-C 108.471 -0.937 . . . . 73.22 108.471 -170.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.6 tp -62.28 -20.87 64.73 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 124.026 0.93 . . . . 62.01 112.704 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -99.01 14.02 61.68 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 117.685 -1.62 . . . . 63.23 114.641 176.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -149.28 -34.98 0.18 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 120.133 1.966 . . . . 63.01 113.09 178.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.8 tp -78.24 18.25 0.55 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.998 1.319 . . . . 61.23 110.691 176.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.87 57.06 1.7 Allowed Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 125.436 1.494 . . . . 51.11 112.215 -178.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.92 -34.67 6.31 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 121.779 1.652 . . . . 71.14 112.356 170.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -124.92 -23.83 4.2 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.829 0.851 . . . . 73.04 112.769 -172.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.5 ' CB ' HD21 ' A' ' 62' ' ' LEU . . . -133.29 110.86 10.37 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.551 0.74 . . . . 74.42 109.933 168.151 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.0 t -83.72 122.77 38.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 N-CA-C 106.052 -1.833 . . . . 73.03 106.052 158.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -95.42 166.05 12.06 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.3 1.04 . . . . 75.32 109.481 165.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.4 t -81.96 161.61 22.99 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.697 0.761 . . . . 72.44 110.525 163.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -56.19 -41.09 75.01 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.527 1.531 . . . . 72.13 111.815 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 t -62.94 -34.51 77.63 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.046 -1.034 . . . . 62.41 110.815 -176.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -72.52 -14.63 61.69 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.957 1.703 . . . . 75.01 111.016 -178.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.9 t -122.63 88.66 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.308 0 C-N-CA 125.277 1.431 . . . . 75.1 110.33 -171.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.07 100.71 5.79 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 121.204 -0.935 . . . . 74.02 109.565 -178.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.8 t -91.65 108.39 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 125.134 1.374 . . . . 54.34 107.939 169.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.5 mt -69.53 141.16 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 108.028 -1.101 . . . . 63.51 108.028 170.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.38 142.23 51.19 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 124.181 0.992 . . . . 73.51 109.656 167.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.49 164.91 24.33 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 118.657 0.662 . . . . 75.14 111.621 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -83.56 -59.88 2.3 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.195 -0.669 . . . . 71.3 109.195 177.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.86 -53.47 53.63 Favored 'General case' 0 C--O 1.233 0.184 0 O-C-N 123.711 0.632 . . . . 75.12 109.298 -168.45 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.3 p -78.5 -22.13 47.88 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.711 0.404 . . . . 71.24 110.765 -174.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 66.14 -13.3 0.16 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.709 1.604 . . . . 73.43 113.458 -169.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.508 HD22 ' HB2' ' A' ' 13' ' ' PRO . 51.7 mt -65.11 -167.53 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 129.508 3.123 . . . . 72.43 111.107 176.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -105.22 168.82 8.82 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.822 1.249 . . . . 61.2 112.33 175.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.7 -13.65 41.94 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.766 1.626 . . . . 64.4 112.096 177.229 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.17 13.33 56.3 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 124.387 0.994 . . . . 63.22 114.251 169.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -142.41 161.07 39.0 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 125.505 1.522 . . . . 71.31 107.727 170.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -158.71 165.31 34.66 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 124.317 1.047 . . . . 52.43 109.333 -177.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -125.39 111.03 14.66 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 124.763 1.225 . . . . 72.21 109.829 -160.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.9 mt -87.28 128.8 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 125.813 1.645 . . . . 74.4 107.727 169.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -120.25 142.8 48.72 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.959 1.303 . . . . 73.21 109.019 170.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.0 mt -147.17 179.61 7.51 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.012 1.725 . . . . 74.35 109.073 -177.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.47 160.51 8.75 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 109.067 -0.716 . . . . 72.23 109.067 162.51 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 p -61.03 -60.88 3.08 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.131 0.572 . . . . 55.43 110.166 -172.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.0 mt -62.38 -42.86 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-O 118.036 -0.983 . . . . 71.04 110.823 178.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -49.55 -57.23 7.49 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 123.84 0.856 . . . . 74.34 109.745 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.92 -53.66 55.7 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.015 1.326 . . . . 72.32 110.237 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.59 -49.73 76.64 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 125.09 1.356 . . . . 72.13 110.986 -172.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -60.5 -53.05 62.26 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 118.671 -0.681 . . . . 72.35 109.855 175.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.5 HD21 ' CB ' ' A' ' 28' ' ' ALA . 38.5 tp -53.34 -44.77 68.75 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 123.62 0.768 . . . . 73.32 111.193 -173.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.0 tp -51.67 -52.13 50.45 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 118.392 0.542 . . . . 62.0 111.055 174.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -66.16 -26.1 67.26 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 122.926 0.49 . . . . 72.41 111.538 -174.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.03 -60.17 3.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 107.787 -1.19 . . . . 65.14 107.787 171.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.09 -19.68 63.22 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.16 1.384 . . . . 64.12 113.243 -179.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -91.51 12.83 19.51 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 120.314 1.415 . . . . 74.13 112.653 176.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.85 -45.55 1.59 Allowed 'General case' 0 C--O 1.234 0.286 0 O-C-N 121.427 -0.796 . . . . 52.44 111.579 -174.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 pp -72.38 -171.03 0.72 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.263 1.425 . . . . 65.03 111.328 172.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -53.05 165.29 0.61 Allowed Pre-proline 0 CA--C 1.546 0.806 0 C-N-CA 128.492 2.717 . . . . 63.41 115.457 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -67.28 164.29 31.07 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.612 2.208 . . . . 42.31 112.184 178.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -67.77 153.12 76.62 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 122.763 2.308 . . . . 71.1 112.887 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -82.8 126.99 33.04 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 128.003 2.521 . . . . 50.11 108.294 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.98 146.67 23.67 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.587 1.155 . . . . 74.31 108.186 -177.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.16 13.68 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 122.884 0.473 . . . . 71.32 111.516 -174.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.444 ' CB ' ' HE3' ' A' ' 78' ' ' LYS . 0.4 OUTLIER -169.32 33.82 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.621 1.168 . . . . 72.52 109.313 176.499 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.59 24.19 67.66 Favored Glycine 0 CA--C 1.533 1.174 0 O-C-N 120.525 -1.359 . . . . 74.1 113.918 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.659 ' HE2' ' H ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -120.64 113.39 20.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 127.668 2.387 . . . . 72.2 108.296 175.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.53 123.44 25.47 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 119.0 -1.08 . . . . 72.52 108.869 176.183 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.573 HD12 HD23 ' A' ' 11' ' ' LEU . 14.3 mm -64.58 164.51 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 124.538 1.135 . . . . 71.14 108.672 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.457 ' HB2' ' HB2' ' A' ' 9' ' ' ARG . 1.1 m-80 -129.9 157.12 43.14 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 126.562 1.945 . . . . 42.33 106.41 176.379 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 39.8 t -119.51 134.86 61.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 106.493 -1.669 . . . . 75.21 106.493 -173.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -134.1 161.24 35.42 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 123.899 0.88 . . . . 74.53 109.526 170.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -135.97 91.42 2.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.431 -1.259 . . . . 64.24 109.661 -172.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.12 76.31 3.48 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 122.214 1.007 . . . . 55.22 109.3 178.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -67.59 144.27 55.67 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.251 -0.648 . . . . 75.01 109.251 -175.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.64 85.94 1.25 Allowed Glycine 0 CA--C 1.52 0.368 0 N-CA-C 108.911 -1.675 . . . . 72.03 108.911 162.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.254 1.336 0 N-CA-C 107.649 -1.241 . . . . 62.22 107.649 166.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.643 0 N-CA-C 110.601 -1.0 . . . . 72.21 110.601 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 11.6 m80 55.05 170.81 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.172 1.789 . . . . 61.34 112.581 -165.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 41.8 mtm -66.43 109.7 2.83 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 107.351 -1.351 . . . . 63.41 107.351 148.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 57.99 84.68 0.1 Allowed 'General case' 0 C--O 1.237 0.415 0 C-N-CA 127.626 2.37 . . . . 75.21 112.725 154.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.8 m -101.03 109.28 21.16 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.646 -0.706 . . . . 54.5 109.416 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.9 mt -79.18 114.49 20.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 N-CA-C 105.427 -2.064 . . . . 72.41 105.427 166.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.3 mt -84.75 137.02 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 108.832 -0.803 . . . . 63.1 108.832 174.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.6 mt -106.59 159.22 16.35 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 124.311 1.044 . . . . 70.12 109.369 170.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 mtp-105 -139.53 172.52 12.69 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 125.261 1.424 . . . . 72.41 110.089 172.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.6 t30 73.07 14.3 4.7 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.728 2.011 . . . . 63.25 112.941 172.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.424 ' CD2' ' H ' ' A' ' 11' ' ' LEU . 1.2 mm? -55.83 125.16 20.14 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 120.515 -1.366 . . . . 72.22 108.967 175.036 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -69.93 157.96 88.44 Favored Pre-proline 0 C--O 1.236 0.394 0 CA-C-N 118.012 0.369 . . . . 74.23 110.428 176.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -65.08 -27.35 57.39 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 123.372 2.714 . . . . 64.12 112.316 -170.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -114.16 14.11 18.14 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.75 1.22 . . . . 74.25 112.244 -178.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 t -75.94 -24.23 55.49 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.215 -0.928 . . . . 71.34 113.392 -177.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.347 5.3 t 44.45 -164.59 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 128.069 2.548 . . . . 71.22 111.06 -164.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.0 ptm -91.89 -38.55 12.24 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 128.038 2.535 . . . . 61.32 106.148 162.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -71.72 -13.17 61.64 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 125.684 1.593 . . . . 74.15 112.57 -164.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.2 m -122.5 23.61 9.57 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.078 1.351 . . . . 72.21 111.026 175.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 56.6 mt -120.27 -39.61 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 126.861 2.064 . . . . 72.11 110.38 161.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.95 -40.86 45.15 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.863 1.265 . . . . 51.04 112.599 -167.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.1 -18.46 76.57 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-O 118.901 -0.944 . . . . 71.43 114.208 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.44 13.28 11.79 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 118.961 1.381 . . . . 61.52 112.86 -175.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 tt -126.44 39.46 3.93 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.301 1.041 . . . . 74.53 109.133 169.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.25 54.36 14.38 Favored Pre-proline 0 CA--C 1.549 0.909 0 N-CA-C 114.132 1.16 . . . . 70.11 114.132 -176.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -79.89 -21.79 8.0 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 123.123 2.549 . . . . 52.25 114.636 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.497 ' HB2' HD21 ' A' ' 62' ' ' LEU . 15.8 m-85 -132.61 -24.94 1.94 Allowed 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.82 0.737 . . . . 71.53 112.654 -172.011 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.438 ' HB2' ' CD2' ' A' ' 62' ' ' LEU . . . -136.37 123.35 21.47 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 104.995 -2.224 . . . . 62.44 104.995 178.564 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.4 t -96.6 71.64 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 107.569 -1.271 . . . . 63.1 107.569 -169.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.0 mt -55.37 158.91 2.96 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 126.919 2.088 . . . . 75.31 111.89 -171.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.2 t -118.95 161.96 19.32 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 122.407 1.099 . . . . 71.32 111.638 170.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 m -52.12 -24.08 6.39 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 128.126 2.57 . . . . 75.4 112.481 173.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 p -77.53 -53.77 7.21 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.101 1.36 . . . . 72.41 111.386 175.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -55.48 -42.55 74.54 Favored 'General case' 0 CA--C 1.51 -0.566 0 C-N-CA 125.189 1.395 . . . . 74.14 111.161 -175.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.6 t -81.2 112.57 19.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.864 0 N-CA-C 106.499 -1.667 . . . . 62.14 106.499 178.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.1 mmt-85 -92.05 126.99 37.35 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.978 1.311 . . . . 74.52 108.076 163.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.8 t -129.19 113.33 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 126.879 2.072 . . . . 61.41 107.761 170.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.3 mt -68.19 104.52 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 N-CA-C 105.746 -1.946 . . . . 71.12 105.746 172.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -85.62 132.93 34.08 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.222 -1.399 . . . . 61.4 107.222 168.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.45 137.07 57.21 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 122.736 0.414 . . . . 74.21 110.478 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -65.29 -31.88 73.25 Favored 'General case' 0 CA--C 1.516 -0.344 0 O-C-N 121.304 -0.872 . . . . 62.23 113.35 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -86.79 -55.05 4.03 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.34 -0.985 . . . . 63.42 108.34 -171.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.436 HG23 ' H ' ' A' ' 45' ' ' LEU . 14.9 t -89.65 -14.15 35.47 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 119.023 -0.513 . . . . 74.54 110.888 -168.174 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 72.32 -13.06 0.65 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.924 1.29 . . . . 72.34 112.557 -170.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.436 ' H ' HG23 ' A' ' 43' ' ' THR . 17.9 mt -65.71 178.25 1.07 Allowed 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 120.269 1.395 . . . . 74.45 111.327 178.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -88.18 176.41 7.27 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.98 1.312 . . . . 53.32 109.559 166.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -95.46 15.73 18.87 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.662 1.185 . . . . 72.2 113.655 175.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.34 14.49 71.74 Favored Glycine 0 CA--C 1.533 1.185 0 O-C-N 120.231 -1.543 . . . . 61.21 114.218 176.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.42 ' HA ' HD23 ' A' ' 11' ' ' LEU . 37.5 p90 -142.75 171.41 14.09 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 126.219 1.808 . . . . 70.21 107.754 169.421 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -148.01 171.28 16.07 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 124.602 1.161 . . . . 65.32 108.726 169.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -131.83 100.24 5.02 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.823 1.649 . . . . 74.41 106.795 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.7 mt -78.36 135.97 24.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 105.67 -1.974 . . . . 73.51 105.67 165.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.5 pm0 -141.2 142.49 33.99 Favored 'General case' 0 N--CA 1.432 -1.371 0 CA-C-N 120.234 1.379 . . . . 72.11 108.434 164.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.9 mt -132.65 -171.04 2.56 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 125.064 1.345 . . . . 63.53 108.716 -166.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.48 147.46 3.35 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.915 -0.402 . . . . 74.14 109.915 150.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.1 p -47.38 -68.28 0.2 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.968 2.107 . . . . 54.31 111.465 177.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.9 mm -61.87 -39.54 83.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 125.397 1.479 . . . . 71.34 110.007 -176.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.46 -53.6 56.53 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.512 0.725 . . . . 75.32 110.047 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.54 -55.48 34.46 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.642 0.777 . . . . 71.41 111.095 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.2 -30.27 69.31 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 112.882 0.697 . . . . 61.23 112.882 -167.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -70.78 -57.46 4.62 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-N 119.275 0.943 . . . . 74.02 109.251 170.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 27' ' ' TYR . 1.0 OUTLIER -52.29 -45.39 65.47 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 124.525 1.13 . . . . 72.01 110.381 -170.226 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.0 tp -46.41 -53.5 10.93 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.095 0.958 . . . . 73.23 110.787 177.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -65.55 -34.85 79.21 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 118.637 -0.697 . . . . 73.14 112.07 -174.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 56.3 mt -54.1 -54.6 19.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 107.209 -1.404 . . . . 73.34 107.209 174.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.6 mt -59.14 -28.73 66.83 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.229 0.826 . . . . 63.22 113.229 -177.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -86.05 14.24 6.53 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.886 0.874 . . . . 74.04 112.337 -173.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -144.06 14.47 1.68 Allowed 'General case' 0 C--O 1.238 0.458 0 N-CA-C 113.989 1.107 . . . . 63.24 113.989 -172.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 pp -139.3 -173.96 3.74 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.483 1.113 . . . . 73.43 110.991 -172.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -46.66 158.47 0.41 Allowed Pre-proline 0 CA--C 1.538 0.504 0 C-N-CA 125.84 1.656 . . . . 62.15 112.43 176.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -69.66 164.92 32.64 Favored 'Trans proline' 0 CA--C 1.544 0.976 0 C-N-CA 121.518 1.479 . . . . 74.41 112.153 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -70.17 161.59 45.43 Favored 'Trans proline' 0 CA--C 1.544 1.016 0 C-N-CA 122.232 1.954 . . . . 73.25 113.391 -176.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.467 ' C ' HD13 ' A' ' 73' ' ' LEU . 3.4 tm? -98.2 116.04 29.58 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 129.409 3.084 . . . . 64.25 108.976 -172.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.26 146.14 25.49 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.486 1.115 . . . . 65.55 109.121 -178.2 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -128.44 16.73 2.93 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 C-N-CA 124.785 1.234 . . . . 72.32 111.187 178.543 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -161.39 37.74 0.14 Allowed 'General case' 0 N--CA 1.482 1.162 0 O-C-N 120.028 -1.67 . . . . 71.25 108.523 168.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.99 14.09 58.37 Favored Glycine 0 CA--C 1.537 1.458 0 O-C-N 120.652 -1.28 . . . . 54.02 115.826 -173.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.453 ' CD ' ' H ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -117.42 98.09 6.23 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 120.54 2.17 . . . . 73.53 109.59 -175.554 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.79 116.66 5.0 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 120.098 -1.626 . . . . 74.41 109.423 177.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.7 mm -66.4 165.22 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 124.997 1.319 . . . . 73.31 109.683 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -126.5 168.71 13.87 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 125.298 1.439 . . . . 74.3 110.906 -176.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.3 t -128.69 140.79 48.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 N-CA-C 107.974 -1.121 . . . . 62.34 107.974 -177.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -148.93 165.23 32.19 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 127.839 2.456 . . . . 63.42 106.55 171.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -137.83 104.12 5.19 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.842 0.857 . . . . 74.2 111.459 -169.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.3 84.15 1.89 Allowed 'General case' 0 C--O 1.234 0.254 0 C-N-CA 125.17 1.388 . . . . 74.33 108.347 175.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.18 75.13 6.21 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.808 1.243 . . . . 73.44 107.892 176.027 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.56 75.3 2.4 Favored Glycine 0 CA--C 1.528 0.849 0 CA-C-O 118.851 -0.972 . . . . 62.42 111.704 -174.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 C--O 1.247 0.966 0 C-N-CA 125.77 1.628 . . . . 54.3 113.164 176.549 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 122.866 1.317 . . . . 72.23 111.058 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 56.9 m -139.85 127.42 21.65 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 125.384 1.473 . . . . 74.32 107.778 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.0 mt -85.99 134.4 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 105.19 -2.152 . . . . 70.52 105.19 164.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.5 mt -104.03 150.85 6.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 C-N-CA 125.435 1.494 . . . . 71.13 108.72 170.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.8 mt -117.14 162.0 18.53 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 124.78 1.232 . . . . 70.42 109.066 171.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -145.46 173.6 11.87 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 126.642 1.977 . . . . 74.44 108.597 -177.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.2 t30 60.53 28.25 17.92 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.172 1.389 . . . . 70.42 112.185 169.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.439 HD23 HD12 ' A' ' 80' ' ' ILE . 29.8 mt -73.0 133.86 44.45 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 106.916 -1.513 . . . . 71.35 106.916 171.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.662 ' H ' ' HE2' ' A' ' 78' ' ' LYS . 1.7 m-20 -71.44 161.54 77.86 Favored Pre-proline 0 C--O 1.239 0.511 0 C-N-CA 123.019 0.528 . . . . 70.55 109.676 175.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -54.47 -52.66 7.66 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 123.912 3.075 . . . . 73.12 112.778 174.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -72.02 -14.62 61.93 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.821 1.248 . . . . 63.22 114.27 -173.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.6 m -69.42 167.14 17.21 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 120.944 -1.097 . . . . 71.31 111.634 -174.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.6 t -147.08 169.52 19.09 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 107.049 -1.463 . . . . 61.22 107.049 171.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 59.0 ttp -60.33 -51.3 70.1 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 127.784 2.434 . . . . 73.15 107.641 -174.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.39 -28.34 69.17 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 118.504 0.593 . . . . 61.3 112.17 -175.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.0 m -71.58 -55.59 7.49 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 109.161 -0.681 . . . . 63.44 109.161 175.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.0 mt -55.05 -44.48 74.42 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.154 0 C-N-CA 123.911 0.884 . . . . 62.4 109.993 177.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.405 HD21 HG21 ' A' ' 35' ' ' VAL . 26.6 mt -59.17 -15.69 16.17 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.127 0.788 . . . . 62.2 113.127 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.74 -52.02 4.58 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 119.329 0.968 . . . . 74.44 111.4 172.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -111.9 13.78 20.9 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.476 0.917 . . . . 62.54 113.476 -164.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.8 tp -119.31 14.99 13.04 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 124.636 1.174 . . . . 73.3 110.61 173.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -133.07 54.2 12.8 Favored Pre-proline 0 CA--C 1.54 0.578 0 O-C-N 121.025 -1.047 . . . . 74.2 112.969 -168.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -72.18 -51.57 0.21 Allowed 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 121.784 1.656 . . . . 71.24 111.191 174.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.401 ' CZ ' HD22 ' A' ' 69' ' ' LEU . 92.0 m-85 -75.4 -56.51 4.63 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-O 118.804 -0.617 . . . . 74.41 110.252 -172.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.13 153.74 49.06 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.98 1.712 . . . . 74.24 108.912 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.3 t -122.21 116.43 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 106.483 -1.673 . . . . 74.32 106.483 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -64.22 172.39 2.49 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 122.623 0.369 . . . . 70.1 111.251 170.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.9 m -84.9 -85.56 0.14 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.602 -0.888 . . . . 72.33 108.602 165.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.4 p -170.26 -50.63 0.02 OUTLIER 'General case' 0 C--O 1.233 0.204 0 CA-C-N 119.566 1.075 . . . . 54.32 111.325 -168.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 p -63.5 -24.89 68.01 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 121.159 -0.963 . . . . 70.12 110.243 176.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -52.3 -48.44 65.36 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.799 1.24 . . . . 70.52 110.126 172.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.405 HG21 HD21 ' A' ' 21' ' ' LEU . 27.0 t -100.38 85.46 1.12 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-O 123.78 1.752 . . . . 64.11 109.667 -159.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.3 mmt-85 -71.95 93.36 1.35 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.887 1.675 . . . . 73.43 109.78 174.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.0 t -95.19 103.03 14.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 N-CA-C 104.189 -2.522 . . . . 74.44 104.189 162.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.0 mt -66.72 143.58 15.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 106.975 -1.491 . . . . 71.11 106.975 169.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.69 149.79 52.37 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.394 1.078 . . . . 64.24 110.661 176.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -63.46 178.67 0.53 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.251 1.82 . . . . 74.24 110.162 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -119.38 -30.55 4.86 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.7 -1.25 . . . . 64.31 112.125 167.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -80.96 -53.47 6.41 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 107.711 -1.218 . . . . 74.51 107.711 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.9 p -83.45 -14.28 52.88 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 121.051 -0.26 . . . . 63.31 110.997 -170.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 53.07 43.26 31.9 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.796 1.239 . . . . 71.55 109.847 -174.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.2 mt -116.81 174.09 6.28 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 124.996 1.318 . . . . 70.22 108.548 174.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -80.5 179.81 7.55 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 124.91 1.284 . . . . 71.32 109.759 172.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -89.55 -13.37 37.46 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.024 0.929 . . . . 73.15 112.848 163.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.92 -21.63 42.69 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-N 119.378 0.99 . . . . 71.53 114.155 169.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -105.78 170.95 7.6 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 121.17 -1.194 . . . . 73.25 108.287 162.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -152.17 175.97 12.04 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 124.546 1.138 . . . . 73.32 109.389 171.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -134.91 141.83 46.4 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.819 1.648 . . . . 72.42 107.699 -175.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.6 mt -121.09 109.8 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 127.777 2.431 . . . . 72.42 106.902 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.07 124.77 36.41 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 106.989 -1.486 . . . . 72.42 106.989 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.406 ' HB2' ' HB2' ' A' ' 59' ' ' ALA . 26.7 mt -141.12 169.34 17.79 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 125.836 1.655 . . . . 72.31 108.798 -178.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.4 t -65.66 166.08 11.38 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.857 0.863 . . . . 61.3 110.978 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.4 m -51.86 -29.14 18.46 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 127.775 2.43 . . . . 73.41 114.022 -169.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.2 mt -117.88 -25.88 2.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 125.402 1.481 . . . . 74.13 110.584 -176.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.63 -44.7 85.63 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.88 0.872 . . . . 73.52 111.266 -174.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.406 ' HB2' ' HB2' ' A' ' 54' ' ' LEU . . . -53.8 -54.75 33.95 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 123.626 0.579 . . . . 65.14 109.603 175.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.56 -47.26 76.68 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.3 1.44 . . . . 71.1 112.583 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -60.08 -60.23 4.16 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 118.837 0.744 . . . . 74.5 109.241 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 tt -52.7 -48.59 66.48 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.849 1.26 . . . . 72.53 110.052 -175.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -45.84 92.14 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 118.428 -0.796 . . . . 71.1 111.585 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -59.91 -36.36 76.84 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 120.054 1.297 . . . . 61.52 110.663 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 57.4 mt -51.38 -57.95 2.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 108.528 -0.916 . . . . 72.54 108.528 173.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.57 -16.66 49.95 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 126.079 1.752 . . . . 74.5 114.432 -178.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -98.5 13.41 31.9 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 119.614 1.097 . . . . 74.53 111.736 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -129.99 13.29 5.74 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 113.523 0.934 . . . . 70.12 113.523 -174.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.401 HD22 ' CZ ' ' A' ' 27' ' ' TYR . 4.3 pp -154.2 -171.79 3.99 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.729 0.695 . . . . 74.2 111.28 -166.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -46.45 152.61 0.84 Allowed Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 125.568 1.547 . . . . 74.31 113.567 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -64.79 161.65 35.22 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.587 2.192 . . . . 73.2 111.629 -178.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -69.03 167.19 24.19 Favored 'Trans proline' 0 N--CA 1.449 -1.135 0 C-N-CA 122.113 1.875 . . . . 54.13 110.904 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.458 HD23 ' H ' ' A' ' 74' ' ' THR . 0.2 OUTLIER -91.87 -179.46 5.31 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 127.152 2.181 . . . . 74.11 109.845 -172.054 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.458 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -132.76 151.05 52.08 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 124.638 1.175 . . . . 53.43 108.126 169.415 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -131.05 22.02 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 C-N-CA 125.313 1.445 . . . . 70.54 109.52 -178.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.486 ' CB ' ' HE3' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -166.72 -22.8 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 114.021 1.119 . . . . 74.15 114.021 179.558 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.95 13.64 3.6 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 128.662 3.029 . . . . 64.35 111.17 -178.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.662 ' HE2' ' H ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -119.16 111.65 18.52 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 127.582 2.353 . . . . 70.25 109.401 -177.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 m -72.66 121.81 20.4 Favored 'General case' 0 C--N 1.332 -0.192 0 O-C-N 121.459 -0.776 . . . . 74.22 109.465 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.439 HD12 HD23 ' A' ' 11' ' ' LEU . 23.1 mm -65.34 160.35 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 119.105 0.866 . . . . 70.2 110.592 -175.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.66 152.57 39.19 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 125.164 1.385 . . . . 50.3 107.432 171.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 t -117.02 137.5 50.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 N-CA-C 106.824 -1.546 . . . . 61.31 106.824 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -133.21 164.5 26.93 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 125.28 1.432 . . . . 70.2 108.026 172.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -139.74 116.13 10.6 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 124.225 1.01 . . . . 73.51 108.551 -176.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -117.71 70.79 0.8 Allowed 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 107.938 -1.134 . . . . 64.43 107.938 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.474 0 C-N-CA 124.615 1.166 . . . . 70.43 108.558 173.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 N--CA 1.443 -0.792 0 N-CA-C 108.597 -0.89 . . . . 75.33 108.597 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.6 m -145.76 134.05 21.77 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 127.301 2.24 . . . . 61.01 108.405 147.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.8 mt -103.65 134.1 45.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 104.342 -2.466 . . . . 73.1 104.342 163.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.1 mt -108.25 144.7 16.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 107.485 -1.302 . . . . 74.23 107.485 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.422 HD11 HD11 ' A' ' 52' ' ' ILE . 6.8 mp -111.39 155.41 23.17 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.08 1.352 . . . . 63.54 107.886 173.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 -136.7 173.1 12.07 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 124.657 1.183 . . . . 73.5 108.853 171.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 61.7 t30 60.95 27.37 17.24 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.229 1.812 . . . . 74.32 113.256 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.403 ' CD2' ' H ' ' A' ' 11' ' ' LEU . 0.7 OUTLIER -66.35 115.81 6.69 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 119.69 -1.881 . . . . 75.14 106.216 165.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -58.4 156.64 21.27 Favored Pre-proline 0 C--O 1.236 0.349 0 CA-C-N 118.498 0.59 . . . . 72.4 110.107 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -59.7 -39.96 68.86 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 123.155 2.57 . . . . 64.53 111.923 -172.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -100.44 14.06 32.43 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.267 1.027 . . . . 72.5 112.952 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 73.2 m -74.81 168.24 20.27 Favored 'General case' 0 CA--C 1.53 0.178 0 O-C-N 121.101 -1.0 . . . . 51.21 110.874 167.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 p -124.85 -164.4 1.27 Allowed 'General case' 0 C--O 1.236 0.347 0 C-N-CA 124.02 0.928 . . . . 63.4 108.553 -178.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.8 ptm -88.14 -59.98 2.09 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 107.474 -1.306 . . . . 71.24 107.474 162.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -44.6 -44.43 8.87 Favored 'General case' 0 CA--C 1.521 -0.14 0 C-N-CA 127.611 2.364 . . . . 61.33 113.03 -178.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.7 m -74.26 -23.67 59.17 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.693 0.627 . . . . 64.4 112.693 -174.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.9 mt -85.18 -46.01 17.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 N-CA-C 108.418 -0.956 . . . . 74.41 108.418 169.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.8 mt -59.18 -37.84 78.37 Favored 'General case' 0 C--O 1.227 -0.097 0 C-N-CA 124.563 1.145 . . . . 62.52 111.215 -174.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.32 14.53 49.91 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-O 118.52 -1.155 . . . . 72.11 113.949 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -141.3 -25.4 0.72 Allowed 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.907 1.353 . . . . 64.5 113.028 -178.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 tt -113.27 37.25 3.24 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.879 2.071 . . . . 74.2 108.736 -175.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.48 53.85 1.16 Allowed Pre-proline 0 CA--C 1.551 1.011 0 N-CA-C 114.694 1.368 . . . . 73.44 114.694 174.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -84.12 -16.23 6.28 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 123.61 2.873 . . . . 65.01 115.253 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -133.01 -26.83 1.69 Allowed 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 120.196 1.362 . . . . 73.03 113.608 -175.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.26 155.88 46.69 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 126.364 1.866 . . . . 62.43 106.69 169.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.2 t -140.0 81.55 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 106.629 -1.619 . . . . 64.3 106.629 -167.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.8 mt -66.22 143.43 57.24 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 123.318 0.647 . . . . 71.43 109.991 -167.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.9 m -85.45 37.24 0.68 Allowed 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.657 1.583 . . . . 74.4 111.662 -168.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.9 m 60.19 -64.01 0.06 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 127.408 2.283 . . . . 73.44 114.319 -177.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.4 t -50.14 -35.21 24.96 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 126.773 2.029 . . . . 55.1 111.466 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -50.41 -33.16 19.75 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 118.773 -0.632 . . . . 74.12 111.883 173.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.7 t -108.28 137.82 38.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 119.513 1.051 . . . . 73.11 111.626 -162.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.51 90.26 2.97 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 126.533 1.933 . . . . 75.42 108.657 -176.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.6 t -87.36 97.57 6.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 105.449 -2.056 . . . . 72.33 105.449 160.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.2 mt -78.3 138.19 20.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 107.172 -1.418 . . . . 62.44 107.172 176.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -85.4 158.46 20.23 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 123.182 0.593 . . . . 75.23 110.701 173.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.69 -174.77 0.11 Allowed 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 124.538 1.135 . . . . 61.15 113.194 172.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -108.99 -29.77 8.41 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.725 1.61 . . . . 75.55 112.99 169.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -101.36 -46.44 5.01 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.273 0.629 . . . . 61.51 109.466 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.406 ' C ' ' H ' ' A' ' 45' ' ' LEU . 52.9 p -82.15 -16.07 51.12 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 118.767 -1.173 . . . . 73.23 111.74 -166.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 65.34 -13.41 0.13 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 127.742 2.417 . . . . 71.34 114.108 -172.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.406 ' H ' ' C ' ' A' ' 43' ' ' THR . 31.5 mt -65.39 -179.08 0.57 Allowed 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 127.722 2.409 . . . . 75.42 110.482 172.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -69.87 166.71 18.88 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 124.703 1.201 . . . . 73.32 109.906 168.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -73.78 -14.24 61.08 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 118.276 -0.868 . . . . 73.51 113.205 165.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.7 -15.47 62.98 Favored Glycine 0 CA--C 1.528 0.889 0 CA-C-N 119.943 1.247 . . . . 20.35 113.071 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -123.43 160.08 27.62 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 126.823 2.049 . . . . 71.13 107.493 167.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -145.93 175.39 10.47 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 123.929 0.892 . . . . 52.22 109.419 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -132.29 154.7 49.42 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.154 1.382 . . . . 74.33 108.656 -172.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.422 HD11 HD11 ' A' ' 8' ' ' LEU . 66.3 mt -127.14 140.44 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 128.233 2.613 . . . . 60.33 107.57 170.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -127.57 90.26 3.09 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 127.603 2.361 . . . . 75.13 107.792 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.6 mt -93.77 -173.95 3.31 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 126.141 1.776 . . . . 71.24 110.622 -174.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.5 t -70.02 154.32 42.09 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 107.13 -1.434 . . . . 73.31 107.13 156.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.1 m -59.84 -46.29 89.74 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.898 0.879 . . . . 75.02 111.323 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.1 mt -64.21 -46.51 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 O-C-N 121.295 -0.878 . . . . 53.33 109.581 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -63.28 -44.77 94.14 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.099 0.56 . . . . 64.3 110.351 -176.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.12 -43.77 74.41 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.577 1.151 . . . . 63.42 110.519 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.12 -62.39 1.58 Allowed 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 122.558 0.343 . . . . 43.34 110.735 173.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -53.21 -52.98 57.13 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 124.319 1.048 . . . . 73.1 111.423 -171.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.24 -44.08 92.36 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.588 1.155 . . . . 72.42 109.859 -177.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 tp -58.98 -39.77 82.77 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 110.026 -0.361 . . . . 75.04 110.026 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -63.4 -40.61 97.66 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.368 0.531 . . . . 74.03 110.735 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 62.5 mt -59.44 -50.05 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 N-CA-C 107.864 -1.162 . . . . 74.41 107.864 174.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.9 mt -60.23 -14.67 19.0 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 114.214 1.19 . . . . 71.2 114.214 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -107.94 31.86 5.19 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.029 1.732 . . . . 71.32 111.037 175.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.57 -30.19 0.13 Allowed 'General case' 0 C--O 1.236 0.386 0 C-N-CA 124.903 1.281 . . . . 72.01 113.885 169.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -172.09 1.25 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.283 1.833 . . . . 73.3 114.672 -169.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -66.08 144.87 98.94 Favored Pre-proline 0 CA--C 1.535 0.373 0 C-N-CA 123.87 0.868 . . . . 63.1 111.074 172.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -65.53 161.78 36.87 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 122.817 2.344 . . . . 73.32 112.204 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -73.79 140.37 29.0 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 122.605 2.203 . . . . 65.2 113.26 -171.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 tt -61.32 114.18 3.04 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 127.986 2.514 . . . . 73.54 107.983 172.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.86 145.47 32.71 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.301 -0.875 . . . . 64.3 108.675 174.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.0 16.38 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 124.108 0.963 . . . . 63.13 111.071 -171.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -170.63 24.32 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 126.491 1.917 . . . . 73.44 109.702 176.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.45 19.89 79.73 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 120.558 -1.339 . . . . 45.04 114.317 -175.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.509 ' CE ' HD11 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -119.54 95.68 4.89 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 127.921 2.488 . . . . 70.31 110.622 -179.411 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.7 m -63.49 116.16 5.33 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.239 -1.022 . . . . 72.44 108.239 172.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.509 HD11 ' CE ' ' A' ' 78' ' ' LYS . 48.8 mm -61.92 163.85 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 124.268 1.027 . . . . 72.2 110.161 177.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.8 161.57 22.46 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 125.938 1.695 . . . . 70.53 109.227 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 t -121.77 142.46 37.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 125.844 1.658 . . . . 65.31 106.848 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -148.19 165.01 32.21 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 126.117 1.767 . . . . 44.22 107.728 174.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -129.66 128.82 43.37 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 106.975 -1.491 . . . . 61.1 106.975 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.47 64.79 1.54 Allowed 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 107.526 -1.287 . . . . 73.23 107.526 174.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.536 0.425 0 C-N-CA 125.728 1.611 . . . . 64.01 109.012 -178.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.443 ' HB3' ' CB ' ' A' ' 59' ' ' ALA . 19.6 m-20 . . . . . 0 N--CA 1.441 -0.921 0 CA-C-O 122.951 1.358 . . . . 73.4 109.782 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.9 m -119.72 108.32 14.29 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 112.631 -2.077 . . . . 61.32 105.515 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.9 mt -81.56 144.0 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 104.495 -2.409 . . . . 53.33 104.495 160.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.1 mt -126.07 137.87 56.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 105.587 -2.005 . . . . 72.41 105.587 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.7 mt -102.42 157.25 17.05 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 107.965 -1.124 . . . . 64.31 107.965 170.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -134.27 176.3 8.72 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 126.474 1.91 . . . . 75.3 108.626 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.6 t30 48.52 52.67 13.34 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 125.432 1.493 . . . . 62.21 110.939 173.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.4 mt -95.54 131.34 41.83 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 106.381 -1.711 . . . . 55.03 106.381 172.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -73.4 159.41 84.86 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 108.944 -0.762 . . . . 64.4 108.944 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -68.51 -17.88 43.45 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 124.035 3.156 . . . . 74.51 114.158 -177.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.26 -25.6 42.51 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.094 0.958 . . . . 73.03 111.957 172.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.6 p -71.7 170.33 13.75 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 119.7 -0.8 . . . . 75.22 112.095 -160.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 t -146.73 165.31 30.03 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 106.15 -1.796 . . . . 55.24 106.15 164.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.6 ptt? -52.76 -36.7 58.36 Favored 'General case' 0 C--O 1.211 -0.968 0 C-N-CA 124.789 1.236 . . . . 44.32 109.804 160.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.84 -29.43 69.5 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 120.178 1.353 . . . . 75.2 112.563 -174.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -77.41 -63.44 1.37 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.565 1.546 . . . . 60.1 107.42 175.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.474 HD11 ' HZ1' ' A' ' 78' ' ' LYS . 68.7 mt -63.28 -25.98 39.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 127.01 2.124 . . . . 61.42 111.687 -169.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.3 mt -68.14 -19.41 64.81 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 120.481 -1.387 . . . . 75.12 113.209 175.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.11 -33.21 5.28 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.17 -0.772 . . . . 74.1 111.17 172.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.08 -36.59 16.85 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 122.039 -0.683 . . . . 61.5 111.565 -170.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.5 tp -102.56 42.48 1.14 Allowed 'General case' 0 C--O 1.233 0.216 0 N-CA-C 107.678 -1.23 . . . . 72.34 107.678 -178.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.68 54.14 2.78 Favored Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 123.834 0.854 . . . . 60.11 111.188 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.48 ' HG2' ' CD1' ' A' ' 27' ' ' TYR . 60.9 Cg_endo -71.26 -24.7 22.84 Favored 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 122.527 2.151 . . . . 61.12 113.996 -175.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.48 ' CD1' ' HG2' ' A' ' 26' ' ' PRO . 7.8 m-85 -135.46 -59.36 0.77 Allowed 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 107.629 -1.249 . . . . 75.5 107.629 -169.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.42 164.13 12.1 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 124.386 1.075 . . . . 75.54 109.358 176.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.9 t -139.46 112.01 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 N-CA-C 107.331 -1.359 . . . . 72.13 107.331 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.3 mt -79.73 -171.77 3.0 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.341 1.856 . . . . 63.34 110.883 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 74.1 m -129.94 164.13 24.88 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.728 1.611 . . . . 40.22 110.444 165.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.8 p -66.6 -24.97 66.4 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 120.798 -1.189 . . . . 63.02 111.872 -176.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 p -54.69 -24.9 23.96 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 125.03 1.332 . . . . 71.14 112.467 168.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -111.05 14.27 21.93 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 126.037 1.735 . . . . 42.3 109.676 -171.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.5 t -135.74 92.99 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 107.199 -1.408 . . . . 72.13 107.199 174.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.56 98.0 2.73 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 107.047 -1.464 . . . . 75.2 107.047 169.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.7 t -98.38 106.01 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 104.71 -2.329 . . . . 61.32 104.71 164.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.3 mt -70.25 138.3 22.27 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 106.518 -1.66 . . . . 73.23 106.518 165.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.47 157.88 41.44 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 123.431 0.692 . . . . 71.44 109.61 175.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -69.81 163.58 25.51 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.658 1.183 . . . . 73.13 110.405 -178.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -103.84 -20.3 13.97 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.235 1.414 . . . . 55.23 112.754 -178.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -112.16 -46.25 3.22 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 125.601 1.561 . . . . 74.31 108.728 -174.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.3 p -89.93 -16.3 30.23 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 118.097 0.408 . . . . 74.41 111.742 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 53.76 46.33 26.06 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.122 1.369 . . . . 72.31 110.952 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.2 mt -124.64 156.15 38.0 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.789 1.636 . . . . 75.31 109.625 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -66.95 164.26 17.99 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 122.742 1.258 . . . . 60.24 112.467 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.48 -13.69 60.39 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.37 -0.831 . . . . 72.21 111.288 167.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.51 -14.79 64.48 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-N 119.985 1.266 . . . . 60.23 114.457 171.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -120.57 160.16 23.78 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 106.891 -1.522 . . . . 72.31 106.891 162.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -143.7 157.08 44.65 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 124.532 1.133 . . . . 74.24 108.933 -177.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -106.97 153.76 22.09 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 125.104 1.361 . . . . 60.12 107.708 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.5 mt -133.03 128.53 56.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 C-N-CA 127.03 2.132 . . . . 74.54 107.157 176.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -105.4 126.53 52.22 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 106.135 -1.802 . . . . 73.2 106.135 171.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.2 mt -136.57 169.97 16.82 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 125.821 1.648 . . . . 64.54 107.328 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.5 t -65.69 162.37 18.67 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 108.929 -0.767 . . . . 73.1 108.929 169.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.9 m -45.47 -51.83 11.06 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 127.606 2.362 . . . . 73.4 110.612 173.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.1 mt -68.23 -52.55 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 109.031 -0.729 . . . . 54.4 109.031 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.41 -47.31 86.65 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.431 0.692 . . . . 75.3 110.874 -168.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 4' ' ' ASP . . . -57.96 -56.69 18.75 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.234 1.014 . . . . 34.15 109.173 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.49 -61.28 2.41 Favored 'General case' 0 N--CA 1.446 -0.661 0 O-C-N 124.146 0.903 . . . . 75.14 109.636 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -57.18 -47.76 80.44 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 118.42 -0.8 . . . . 60.31 111.194 -174.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.72 -48.03 78.64 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 119.368 0.985 . . . . 74.2 110.408 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 tp -62.66 -35.36 79.39 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 119.18 -0.438 . . . . 73.11 110.375 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.24 -54.49 40.11 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-N 118.959 0.8 . . . . 44.34 109.467 175.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 58.7 mt -44.61 -58.69 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.24 0 C-N-CA 124.708 1.203 . . . . 72.4 109.876 175.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.5 mt -67.78 -14.3 62.83 Favored 'General case' 0 C--N 1.34 0.181 0 N-CA-C 115.87 1.804 . . . . 41.3 115.87 -171.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -99.83 12.89 35.55 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 120.013 1.278 . . . . 73.1 111.904 176.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -123.16 14.07 9.73 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.869 0.868 . . . . 71.43 112.067 -175.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 pp -148.97 -174.15 4.56 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.585 0.754 . . . . 43.14 111.942 -167.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -53.02 156.85 3.23 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 126.242 1.817 . . . . 73.22 112.514 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -67.92 163.24 36.4 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 121.875 1.717 . . . . 73.22 112.306 -176.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -64.02 142.69 82.36 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 123.118 2.545 . . . . 71.3 111.669 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.46 124.8 27.25 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.829 2.052 . . . . 74.14 107.398 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.9 t -89.18 151.25 22.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.059 -0.719 . . . . 75.33 109.059 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.7 mp -129.57 14.08 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 123.898 0.879 . . . . 73.13 110.84 -167.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 174.67 30.25 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 127.008 2.123 . . . . 53.24 108.186 -177.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.39 24.82 66.12 Favored Glycine 0 CA--C 1.534 1.24 0 O-C-N 119.304 -2.122 . . . . 54.13 112.617 -175.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.562 ' HE2' HD11 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -112.63 91.95 3.84 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 126.881 2.072 . . . . 73.3 109.378 171.641 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.27 121.11 13.5 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.122 -1.066 . . . . 75.44 108.122 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.562 HD11 ' HE2' ' A' ' 78' ' ' LYS . 35.3 mm -62.66 163.48 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 N-CA-C 108.057 -1.09 . . . . 75.54 108.057 -178.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.12 160.38 37.97 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 107.519 -1.289 . . . . 75.42 107.519 166.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.8 t -121.3 143.78 32.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 108.003 -1.11 . . . . 71.44 108.003 -174.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -125.06 159.13 32.1 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 122.34 1.067 . . . . 75.4 108.977 153.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -114.94 93.74 4.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.008 -1.906 . . . . 74.51 105.948 168.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.83 70.38 10.35 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 106.596 -1.631 . . . . 75.21 106.596 170.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.9 tptp . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 107.61 -1.255 . . . . 64.41 107.61 176.154 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 N--CA 1.442 -0.868 0 CA-C-O 121.805 0.812 . . . . 62.35 111.987 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.8 m -132.95 107.78 8.5 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 106.084 -1.821 . . . . 64.22 106.084 172.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.6 mt -82.01 124.48 39.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 104.572 -2.381 . . . . 73.51 104.572 173.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 mp -99.35 136.63 29.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 124.229 1.011 . . . . 54.13 109.918 176.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mp -93.89 149.0 21.61 Favored 'General case' 0 N--CA 1.461 0.102 0 C-N-CA 126.565 1.946 . . . . 72.14 106.968 167.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.56 176.8 8.6 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 126.153 1.781 . . . . 70.52 107.704 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 56.9 t30 52.03 48.63 22.36 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 125.46 1.504 . . . . 75.41 110.51 -177.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.468 HD23 HD12 ' A' ' 80' ' ' ILE . 93.8 mt -94.02 128.13 40.21 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 107.589 -1.263 . . . . 73.12 107.589 176.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.428 ' HB2' ' HE2' ' A' ' 78' ' ' LYS . 2.7 m-20 -67.68 144.69 97.73 Favored Pre-proline 0 C--O 1.239 0.51 0 CA-C-O 117.492 -1.242 . . . . 74.51 107.805 173.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.92 -32.67 35.16 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 123.962 3.108 . . . . 74.15 112.446 -174.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -57.28 -32.03 66.21 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.236 0.615 . . . . 74.34 112.438 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.97 172.88 12.82 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 122.404 1.097 . . . . 73.13 111.763 -170.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.0 p -122.66 -86.98 0.64 Allowed 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.083 1.753 . . . . 74.31 107.214 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.7 tpt -163.62 -37.3 0.03 OUTLIER 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 126.756 2.022 . . . . 73.51 109.357 171.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -56.81 -48.43 77.98 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.33 1.052 . . . . 64.43 111.398 -172.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.57 24.51 0.58 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.757 1.623 . . . . 70.44 112.061 177.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.8 mt -123.48 -41.96 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 126.186 1.794 . . . . 54.43 108.511 166.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.4 mt -64.69 -14.71 59.56 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 120.043 1.292 . . . . 71.21 114.062 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -86.97 -14.7 64.2 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 119.653 1.115 . . . . 63.13 112.96 173.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -141.44 12.68 2.15 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 119.001 1.401 . . . . 41.05 114.604 -172.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.9 tp -127.48 19.31 6.82 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.699 1.199 . . . . 71.53 108.911 170.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -122.58 54.25 5.7 Favored Pre-proline 0 N--CA 1.449 -0.523 0 O-C-N 120.819 -1.175 . . . . 75.21 112.442 -174.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -74.38 -16.95 21.64 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 121.878 1.719 . . . . 74.41 113.375 170.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -137.37 -66.86 0.5 Allowed 'General case' 0 C--N 1.343 0.324 0 CA-C-N 119.597 1.089 . . . . 72.41 110.735 -177.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.51 127.12 31.74 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 107.243 -1.392 . . . . 74.55 107.243 171.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.7 t -134.02 82.5 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 106.934 -1.506 . . . . 73.53 106.934 -172.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -75.48 154.53 36.92 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.981 0.419 . . . . 74.15 111.633 -169.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.9 m -86.36 58.17 4.9 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.891 1.276 . . . . 72.32 110.372 174.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.5 t 58.21 -81.2 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 126.269 1.828 . . . . 53.22 113.16 171.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 t -62.96 -23.2 67.3 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 119.958 1.254 . . . . 71.23 113.231 -174.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -45.52 -35.6 3.99 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 120.475 1.488 . . . . 73.55 110.938 167.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.0 t -89.31 102.74 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 CA-C-O 121.688 0.756 . . . . 72.54 109.454 172.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.62 118.48 12.54 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.282 1.433 . . . . 74.32 108.905 165.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 23.6 t -122.29 115.48 46.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 126.41 1.884 . . . . 61.32 108.523 174.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.4 mt -87.54 150.33 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 125.097 1.359 . . . . 61.11 108.364 172.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.87 157.64 39.94 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 124.434 1.094 . . . . 73.14 109.108 167.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -73.61 168.32 19.56 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.939 0.876 . . . . 61.53 111.94 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -83.04 -51.46 7.53 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.235 1.414 . . . . 71.11 109.448 175.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -68.22 -60.66 2.3 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 119.224 0.92 . . . . 70.32 110.166 176.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 45.5 p -82.65 -19.92 37.29 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.986 -0.285 . . . . 63.22 110.771 -161.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 60.97 15.65 6.29 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.016 1.727 . . . . 72.23 112.307 -176.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.0 mt -108.43 157.68 18.2 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 125.538 1.535 . . . . 70.25 109.018 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -63.59 167.44 5.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 122.697 1.237 . . . . 54.01 113.873 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -84.02 -12.97 54.38 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.382 1.873 . . . . 72.15 112.322 -176.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.79 13.24 54.02 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 126.397 1.951 . . . . 52.05 113.409 -176.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -154.7 165.52 36.29 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 125.372 1.469 . . . . 74.35 109.355 176.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -152.6 168.06 26.83 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.236 1.414 . . . . 41.42 109.857 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -130.23 105.8 8.16 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 124.427 1.091 . . . . 72.31 110.261 -164.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.0 mt -75.19 143.33 13.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 124.891 1.276 . . . . 73.51 109.366 169.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -122.74 124.49 43.49 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 126.611 1.964 . . . . 65.43 107.175 170.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.9 mt -135.68 178.02 7.37 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.864 2.066 . . . . 72.51 108.533 178.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.5 m -60.92 159.15 11.82 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 123.591 0.756 . . . . 65.33 110.466 168.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.1 p -61.95 -30.83 71.18 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.811 0.844 . . . . 70.13 112.323 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.1 mm -87.73 -49.21 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 123.964 0.906 . . . . 71.22 109.637 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.19 -46.8 87.32 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 118.878 -0.582 . . . . 73.11 110.505 -172.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.1 -55.71 19.1 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.471 -0.566 . . . . 61.22 109.471 178.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.5 -57.75 10.63 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.058 0.943 . . . . 64.34 111.244 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -55.04 -53.42 56.01 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 123.407 0.683 . . . . 72.43 111.412 -173.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.18 -39.83 86.48 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.54 1.136 . . . . 34.24 109.562 -173.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.3 -42.09 85.88 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 118.067 -0.968 . . . . 52.22 110.455 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -59.24 -34.45 72.23 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.627 0.649 . . . . 74.45 111.167 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 29.1 mt -61.62 -55.61 23.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 N-CA-C 107.682 -1.229 . . . . 73.11 107.682 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.406 ' HA ' HD11 ' A' ' 69' ' ' LEU . 2.4 mm? -57.76 -14.44 5.81 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.659 1.584 . . . . 63.32 114.76 174.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -97.72 14.73 25.83 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 119.72 1.145 . . . . 62.35 112.041 177.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -144.16 13.9 1.64 Allowed 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 114.708 1.373 . . . . 42.31 114.708 -173.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.428 ' H ' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -135.18 -163.5 1.39 Allowed 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.755 1.222 . . . . 75.31 112.758 -168.126 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -70.92 146.44 93.05 Favored Pre-proline 0 CA--C 1.548 0.878 0 O-C-N 122.086 -0.384 . . . . 75.44 110.364 175.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -66.93 169.49 14.75 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 124.283 3.322 . . . . 44.43 113.162 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -71.5 155.49 59.53 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.475 2.117 . . . . 73.15 113.744 -174.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.6 tt -75.33 119.75 19.86 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 128.201 2.601 . . . . 74.43 107.484 173.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.82 135.17 34.21 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.216 -0.927 . . . . 75.32 108.932 176.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.82 13.48 6.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 122.969 0.508 . . . . 75.15 110.938 -171.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -168.67 32.94 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.593 1.557 . . . . 74.12 109.653 177.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.11 21.48 66.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 120.827 -1.171 . . . . 72.55 114.142 -178.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.428 ' HE2' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -119.93 111.6 18.13 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 127.63 2.372 . . . . 74.43 108.134 174.143 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 50.3 m -84.13 125.49 32.21 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.809 -0.812 . . . . 75.22 108.809 177.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.468 HD12 HD23 ' A' ' 11' ' ' LEU . 19.8 mm -71.18 165.81 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 124.315 1.046 . . . . 74.14 109.77 -174.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.9 162.73 21.68 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 126.839 2.056 . . . . 73.21 109.422 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.4 t -103.52 143.09 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 125.498 1.519 . . . . 74.32 109.191 166.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -139.35 161.49 37.33 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.983 0.913 . . . . 72.53 109.468 155.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -135.06 95.58 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 125.195 1.398 . . . . 53.22 108.856 -173.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.08 85.09 6.91 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 107.543 -1.281 . . . . 41.23 107.543 169.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.9 tptt . . . . . 0 C--N 1.329 -0.284 0 C-N-CA 128.256 2.622 . . . . 74.33 107.762 172.786 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 N--CA 1.437 -1.124 0 CA-C-O 122.608 1.194 . . . . 74.14 110.942 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -135.84 107.93 7.2 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.845 -1.169 . . . . 73.34 107.845 170.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.8 mt -85.93 143.77 10.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 104.519 -2.4 . . . . 61.13 104.519 157.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.458 HD11 ' HB3' ' A' ' 85' ' ' ALA . 4.5 mp -121.96 153.21 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 125.629 1.572 . . . . 74.21 107.124 175.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.7 mt -118.77 154.19 33.22 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.385 -0.968 . . . . 71.43 108.385 172.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.616 ' HB2' ' HB2' ' A' ' 81' ' ' ASN . 5.9 mtp-105 -135.32 165.6 25.08 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.063 0.945 . . . . 73.32 109.43 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 63.4 t30 64.46 41.4 5.67 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.113 1.365 . . . . 72.32 111.431 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.29 123.57 28.62 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 104.902 -2.259 . . . . 64.11 104.902 174.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -64.88 157.07 77.34 Favored Pre-proline 0 C--O 1.238 0.472 0 N-CA-C 108.302 -0.999 . . . . 64.24 108.302 171.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -70.42 -32.92 14.99 Favored 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 121.621 1.547 . . . . 75.51 110.382 -173.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -70.84 -16.86 62.74 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 125.412 1.485 . . . . 64.54 113.918 176.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.0 m -65.75 158.36 27.79 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.158 -0.682 . . . . 71.4 109.158 -177.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 p -135.32 158.74 43.6 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 104.628 -2.36 . . . . 71.44 104.628 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.9 ttp -57.18 -50.93 71.3 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 106.502 -1.666 . . . . 72.23 106.502 175.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -69.29 -37.6 77.91 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.795 0.838 . . . . 74.32 112.559 -172.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.82 -53.84 53.3 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 123.322 0.649 . . . . 74.34 110.083 171.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.1 mt -69.87 -34.49 60.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 108.294 -1.002 . . . . 70.43 108.294 -177.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.5 mt -62.09 -34.52 76.45 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 117.87 -1.062 . . . . 72.44 111.668 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.07 -25.62 40.0 Favored Glycine 0 CA--C 1.523 0.582 0 CA-C-O 118.974 -0.903 . . . . 71.14 113.437 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -110.58 -16.77 13.57 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 118.479 1.139 . . . . 74.45 113.839 -167.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.4 tp -110.75 40.17 2.07 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.932 1.293 . . . . 74.31 108.41 173.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.81 53.59 7.47 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 113.382 0.882 . . . . 71.24 113.382 -174.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.407 ' HG2' ' CD2' ' A' ' 27' ' ' TYR . 63.9 Cg_endo -71.96 -33.2 10.13 Favored 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 121.264 1.309 . . . . 63.12 111.699 166.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.407 ' CD2' ' HG2' ' A' ' 26' ' ' PRO . 22.8 m-85 -122.73 -23.94 4.98 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.062 0.945 . . . . 65.23 112.477 -166.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -135.67 117.79 15.44 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 119.121 0.873 . . . . 63.04 109.392 168.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.2 t -98.64 89.02 1.76 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 N-CA-C 105.841 -1.911 . . . . 64.02 105.841 172.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.0 mt -68.95 169.86 10.85 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 108.76 -0.829 . . . . 73.35 108.76 -177.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.7 m -98.0 158.39 15.57 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 120.879 -1.138 . . . . 61.04 109.511 165.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.7 m -60.22 -29.71 68.91 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.303 -0.873 . . . . 70.22 112.675 174.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.4 m -62.92 -26.78 68.96 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 119.3 0.955 . . . . 71.14 112.635 174.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -75.5 -26.82 58.46 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 119.273 0.942 . . . . 54.13 111.185 177.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.3 t -109.59 108.11 24.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 118.957 0.799 . . . . 73.22 110.675 -158.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.94 113.85 26.23 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 124.434 1.093 . . . . 74.43 108.846 178.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.0 t -117.43 110.7 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 106.487 -1.671 . . . . 63.31 106.487 174.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.1 mt -75.32 129.02 37.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 N-CA-C 107.631 -1.248 . . . . 62.5 107.631 175.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -111.23 146.51 36.82 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 126.417 1.887 . . . . 54.23 109.159 173.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -74.87 -178.51 3.76 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.175 0.59 . . . . 54.2 111.13 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -123.69 -25.92 4.24 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.858 1.263 . . . . 74.53 112.082 173.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.83 -56.54 3.43 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 107.06 -1.459 . . . . 74.34 107.06 173.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.6 p -78.52 -22.39 47.4 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 117.946 0.339 . . . . 74.13 110.816 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 57.38 13.45 1.78 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 128.89 2.876 . . . . 75.24 114.778 -169.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.9 mt -107.01 167.17 10.08 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 120.43 1.468 . . . . 52.13 110.213 -173.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.64 155.46 33.27 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.186 -0.946 . . . . 63.2 110.554 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -68.61 -13.2 62.19 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.852 1.056 . . . . 75.21 113.852 171.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.1 13.3 31.71 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 124.165 0.888 . . . . 61.42 114.274 170.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -142.4 173.28 11.67 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 127.501 2.32 . . . . 73.33 107.336 171.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -149.82 164.62 34.85 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 107.954 -1.128 . . . . 62.02 107.954 173.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -123.26 152.23 41.56 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.283 1.433 . . . . 75.15 107.206 176.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 51.5 mt -133.41 114.22 20.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 128.084 2.554 . . . . 63.23 104.762 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.36 107.04 17.82 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 104.365 -2.458 . . . . 74.43 104.365 -177.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 mt -109.9 -170.71 1.7 Allowed 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.334 1.054 . . . . 61.35 109.179 -175.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.82 160.18 32.25 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.481 -0.762 . . . . 62.22 110.046 158.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.8 p -54.65 -60.51 3.26 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 124.406 1.083 . . . . 53.42 110.261 176.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.9 mt -60.33 -47.78 90.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 124.921 1.289 . . . . 63.41 109.224 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -62.41 -44.96 95.19 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 118.706 0.685 . . . . 65.11 111.74 -172.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.87 -50.98 70.84 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.873 0.869 . . . . 72.42 109.029 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.42 -58.4 8.19 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 118.758 -0.639 . . . . 55.53 110.566 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -51.57 -60.22 3.39 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 125.777 1.631 . . . . 75.23 111.356 -174.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -55.7 -44.85 77.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.418 0.687 . . . . 71.24 109.622 -177.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.96 -36.27 83.41 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 118.996 -0.526 . . . . 64.12 111.511 -177.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -57.53 -45.27 85.24 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 108.826 -0.805 . . . . 73.05 108.826 177.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.5 mt -62.44 -48.81 86.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 N-CA-C 107.873 -1.158 . . . . 70.15 107.873 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.1 mt -58.23 -14.39 7.04 Favored 'General case' 0 C--N 1.342 0.241 0 N-CA-C 114.653 1.353 . . . . 63.22 114.653 177.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -110.5 14.48 22.5 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.243 0.929 . . . . 54.51 112.406 173.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -123.69 -14.85 7.17 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 126.56 1.944 . . . . 71.34 113.356 177.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.407 HD12 ' H ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -112.95 -170.22 1.63 Allowed 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 114.825 1.417 . . . . 74.31 114.825 -155.868 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.3 144.22 88.09 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 125.683 1.593 . . . . 52.32 111.784 171.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -71.41 154.7 60.74 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.635 2.223 . . . . 63.35 111.977 -168.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -66.55 134.89 37.1 Favored 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 122.595 2.196 . . . . 71.13 112.762 -167.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -68.62 119.34 12.9 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 127.458 2.303 . . . . 72.35 109.121 -175.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 t -82.48 145.9 29.55 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 109.054 -0.721 . . . . 72.44 109.054 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -130.27 14.16 2.23 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 122.843 0.457 . . . . 62.12 110.833 -174.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -168.54 37.07 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.921 1.288 . . . . 74.3 109.156 171.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.05 13.94 54.55 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 125.017 1.294 . . . . 62.32 114.768 -175.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.53 111.21 22.94 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 126.769 2.028 . . . . 71.43 108.647 175.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.43 110.05 6.56 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.206 -1.035 . . . . 72.03 108.206 174.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.9 mm -61.5 138.47 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 126.121 1.768 . . . . 64.15 108.192 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.616 ' HB2' ' HB2' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -93.36 164.12 13.34 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.285 1.834 . . . . 54.41 108.736 170.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.6 t -124.38 143.95 35.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 125.278 1.431 . . . . 74.14 107.216 170.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -130.78 165.04 23.83 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 126.167 1.787 . . . . 75.02 108.657 166.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -137.13 84.04 2.04 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 124.664 1.185 . . . . 73.41 110.468 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.458 ' HB3' HD11 ' A' ' 7' ' ' ILE . . . -89.99 61.39 5.24 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 108.983 -0.747 . . . . 75.41 108.983 176.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.541 0.625 0 C-N-CA 124.433 1.093 . . . . 60.02 108.27 175.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 CA--C 1.533 0.293 0 CA-C-O 123.268 1.509 . . . . 74.4 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 m -121.56 106.51 11.44 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.353 1.461 . . . . 71.0 107.223 -169.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.6 mt -78.74 129.49 37.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 105.537 -2.023 . . . . 73.02 105.537 174.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.4 mt -107.2 140.89 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 106.672 -1.603 . . . . 73.34 106.672 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.0 mt -107.73 155.1 20.56 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 108.882 -0.785 . . . . 70.12 108.882 165.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.441 ' HB2' ' HB2' ' A' ' 81' ' ' ASN . 5.0 mtt180 -139.55 171.21 14.57 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 127.524 2.33 . . . . 73.41 109.143 -170.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 66.5 t30 53.11 34.62 17.7 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.408 1.483 . . . . 74.22 110.33 -176.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.7 mt -77.61 112.96 14.96 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 106.233 -1.766 . . . . 72.1 106.233 176.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.477 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 1.0 OUTLIER -59.91 144.85 85.53 Favored Pre-proline 0 CA--C 1.515 -0.387 0 N-CA-C 106.253 -1.758 . . . . 63.21 106.253 -179.535 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.488 ' HB2' HD13 ' A' ' 45' ' ' LEU . 35.1 Cg_endo -62.83 -30.27 77.45 Favored 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 121.609 1.54 . . . . 63.4 112.286 -175.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -74.82 -14.89 60.74 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 113.811 1.041 . . . . 73.2 113.811 175.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.0 m -76.54 160.25 29.63 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 121.377 -0.827 . . . . 73.13 109.335 172.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.13 172.87 12.39 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 127.053 2.141 . . . . 74.4 107.535 159.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -55.7 -32.72 63.55 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-O 118.371 -0.823 . . . . 75.32 109.552 170.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.82 -28.59 69.96 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 119.204 0.911 . . . . 62.54 110.625 -174.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.5 m -78.46 -58.77 3.08 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.02 0.928 . . . . 64.41 109.11 172.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.8 mt -59.01 -43.87 89.91 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.464 0 C-N-CA 123.781 0.832 . . . . 73.44 110.048 -171.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.1 mt -70.88 -14.77 62.51 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 124.154 0.982 . . . . 63.53 113.529 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.66 -17.88 50.39 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 118.93 -0.928 . . . . 32.55 112.815 176.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.72 -14.19 4.11 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.751 1.221 . . . . 41.22 113.339 -168.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.18 30.69 4.98 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 126.103 1.761 . . . . 71.51 109.503 -178.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -122.24 55.05 6.03 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 124.141 0.976 . . . . 53.31 112.777 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.504 ' HG2' ' CD1' ' A' ' 27' ' ' TYR . 84.3 Cg_endo -79.29 -24.64 6.42 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 122.222 1.948 . . . . 71.41 112.172 165.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.504 ' CD1' ' HG2' ' A' ' 26' ' ' PRO . 62.4 m-85 -122.09 -51.99 1.98 Allowed 'General case' 0 C--N 1.344 0.363 0 C-N-CA 124.529 1.132 . . . . 74.42 111.496 -169.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.86 117.81 35.08 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 107.648 -1.242 . . . . 44.23 107.648 175.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.8 t -130.85 77.04 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 107.307 -1.368 . . . . 75.21 107.307 -161.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -77.52 160.82 28.37 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.652 -0.704 . . . . 64.24 111.735 -168.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.98 24.46 1.29 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.599 1.96 . . . . 73.41 111.069 178.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.3 m 61.65 -49.43 0.14 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.589 2.356 . . . . 75.34 115.782 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 p -58.6 -26.45 63.68 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 121.468 1.94 . . . . 73.11 111.972 175.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -60.69 -24.68 65.82 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-O 118.249 -0.881 . . . . 73.43 111.514 174.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.6 t -104.97 94.55 3.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 C-N-CA 124.922 1.289 . . . . 64.4 108.89 -166.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.46 86.58 0.11 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.307 1.443 . . . . 73.3 110.174 174.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.9 t -92.63 89.57 2.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 126.123 1.769 . . . . 64.34 107.07 169.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.505 HD12 ' H ' ' A' ' 38' ' ' ILE . 0.6 OUTLIER -72.08 121.78 23.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 N-CA-C 107.61 -1.255 . . . . 72.14 107.61 175.658 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.28 155.26 36.86 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 120.707 -0.397 . . . . 73.2 110.816 170.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -70.58 165.78 22.03 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.774 1.229 . . . . 71.12 110.123 165.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -113.87 14.25 18.54 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 114.049 1.129 . . . . 74.21 114.049 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -127.75 -51.43 1.35 Allowed 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 119.138 0.881 . . . . 71.31 108.74 170.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.593 ' HB ' HD12 ' A' ' 45' ' ' LEU . 82.1 p -77.04 -19.66 56.9 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.855 0.317 . . . . 62.15 111.855 -176.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 62.47 15.72 8.05 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.755 2.022 . . . . 74.21 113.107 -171.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.593 HD12 ' HB ' ' A' ' 43' ' ' THR . 12.5 mt -94.54 -169.16 1.98 Allowed 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 125.641 1.576 . . . . 62.54 109.292 178.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -96.65 164.57 12.53 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.114 0.87 . . . . 74.42 110.146 175.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -83.3 13.5 4.25 Favored 'General case' 0 CA--C 1.555 1.172 0 N-CA-C 114.068 1.136 . . . . 74.2 114.068 -170.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.84 13.16 65.89 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 128.072 2.749 . . . . 71.43 116.294 -176.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -150.94 167.48 27.45 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 120.819 -1.4 . . . . 71.13 108.638 167.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.25 155.66 35.61 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 123.943 0.897 . . . . 63.41 109.436 173.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -116.94 120.43 38.4 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 125.679 1.592 . . . . 74.12 108.013 -169.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.456 ' C ' HE21 ' A' ' 53' ' ' GLN . 31.1 mt -82.18 141.42 15.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 C-N-CA 125.222 1.409 . . . . 24.02 107.717 167.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.456 HE21 ' C ' ' A' ' 52' ' ' ILE . 0.5 OUTLIER -129.59 79.39 1.91 Allowed 'General case' 0 C--O 1.239 0.551 0 C-N-CA 125.545 1.538 . . . . 74.03 107.24 170.817 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.0 mt -71.47 177.2 4.13 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.894 1.278 . . . . 75.21 109.768 165.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.12 155.25 3.71 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 108.608 -0.886 . . . . 73.31 108.608 159.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.8 p -58.02 -52.83 63.89 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.529 0.68 . . . . 74.31 111.429 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.6 mm -69.99 -40.58 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 122.926 0.491 . . . . 70.4 109.728 -176.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.96 -52.87 63.71 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.827 -0.805 . . . . 74.03 108.827 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.13 -53.28 28.63 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.591 1.156 . . . . 50.14 110.598 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.79 -39.96 95.5 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 112.703 0.631 . . . . 51.53 112.703 -175.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -66.09 -58.97 4.27 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.336 1.055 . . . . 74.3 109.315 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.485 HD12 ' CD2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -59.5 -41.98 91.13 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.258 1.023 . . . . 74.41 110.117 -171.186 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.3 tp -53.15 -45.91 68.62 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 121.913 -0.492 . . . . 72.13 110.722 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -69.59 -24.03 63.61 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 118.196 0.453 . . . . 64.0 111.963 -173.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.66 -60.29 2.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 106.51 -1.663 . . . . 70.1 106.51 164.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.485 ' CD2' HD12 ' A' ' 62' ' ' LEU . 2.8 mm? -60.47 -17.28 43.95 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 114.575 1.324 . . . . 64.14 114.575 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -100.68 13.34 35.13 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.397 0.999 . . . . 72.3 112.295 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -154.38 -14.43 0.13 Allowed 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 114.709 1.374 . . . . 64.01 114.709 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -162.7 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.709 2.004 . . . . 62.44 113.645 175.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -65.68 145.86 99.01 Favored Pre-proline 0 CA--C 1.54 0.573 0 N-CA-C 113.245 0.832 . . . . 63.11 113.245 169.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -66.71 160.99 43.77 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 123.266 2.644 . . . . 72.13 112.239 -170.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -67.33 158.71 55.7 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.548 2.165 . . . . 74.32 112.481 -174.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.2 tt -112.76 122.96 49.2 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 126.179 1.791 . . . . 72.51 107.896 -168.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.5 t -77.22 141.9 39.82 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.438 0.695 . . . . 42.32 110.347 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -130.14 14.47 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 124.607 1.163 . . . . 44.32 110.529 -178.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -167.7 24.65 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.6 1.16 . . . . 65.4 110.673 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.93 24.84 76.7 Favored Glycine 0 CA--C 1.532 1.109 0 O-C-N 121.297 -0.877 . . . . 73.33 114.851 -174.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.477 ' HE3' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -125.58 119.98 29.58 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 126.726 2.01 . . . . 71.43 109.741 174.264 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.7 m -78.05 116.1 18.27 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 119.58 1.082 . . . . 74.44 108.463 172.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.4 mm -58.91 160.45 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 124.025 0.93 . . . . 71.14 109.7 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.441 ' HB2' ' HB2' ' A' ' 9' ' ' ARG . 1.0 OUTLIER -126.27 155.56 41.71 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 125.298 1.439 . . . . 73.22 107.799 171.6 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.3 t -119.95 144.62 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 C-N-CA 125.496 1.518 . . . . 62.23 107.96 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -141.5 169.91 16.7 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 127.644 2.377 . . . . 73.41 107.623 176.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -126.09 158.42 35.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 106.351 -1.722 . . . . 74.41 106.351 169.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -145.92 73.56 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 105.984 -1.858 . . . . 72.24 105.984 168.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.534 0 N-CA-C 106.729 -1.582 . . . . 70.23 106.729 -176.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 125.335 2.493 . . . . 74.04 110.92 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.8 m -117.67 109.09 16.22 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 111.144 -2.753 . . . . 64.02 107.971 176.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mt -74.77 126.65 35.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 106.05 -1.833 . . . . 74.33 106.05 163.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.41 HD11 ' HB2' ' A' ' 85' ' ' ALA . 14.6 mt -98.79 135.89 31.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 N-CA-C 107.194 -1.41 . . . . 74.04 107.194 172.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.4 mt -87.99 160.03 18.05 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.707 0.803 . . . . 72.44 109.978 168.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -137.16 172.7 12.61 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.368 -0.832 . . . . 62.12 109.485 170.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 62.7 t30 58.39 46.01 15.94 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 125.761 1.624 . . . . 64.14 111.513 176.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 43.3 mt -85.6 119.44 25.94 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 106.859 -1.534 . . . . 73.22 106.859 171.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.485 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 5.2 m-20 -62.48 158.44 49.12 Favored Pre-proline 0 C--O 1.236 0.379 0 N-CA-C 108.817 -0.808 . . . . 74.12 108.817 163.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.477 ' HB2' HD22 ' A' ' 45' ' ' LEU . 33.3 Cg_endo -82.22 -15.64 8.87 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 124.211 3.274 . . . . 74.11 112.703 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.84 -14.21 61.46 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.364 1.866 . . . . 65.12 112.076 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.2 m -108.42 154.35 22.0 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.257 1.423 . . . . 74.13 108.007 165.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.1 t -123.56 -57.82 1.63 Allowed 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 106.497 -1.668 . . . . 70.43 106.497 173.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 27.5 ttm -157.71 -56.38 0.08 Allowed 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 123.087 0.555 . . . . 63.2 110.557 -175.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.54 -23.06 66.17 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.314 1.046 . . . . 64.11 112.824 -173.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 t -95.21 24.76 4.73 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.305 1.842 . . . . 74.4 110.216 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mt -137.38 -48.69 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 124.908 1.283 . . . . 71.3 107.827 176.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -52.75 -44.32 66.37 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-O 118.777 -0.63 . . . . 73.32 112.45 -168.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.64 24.89 27.42 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 124.967 1.27 . . . . 73.01 112.698 -174.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.95 -40.32 0.44 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.994 1.317 . . . . 70.4 109.882 178.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.6 tp -81.29 19.4 0.96 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.818 1.647 . . . . 73.33 110.994 173.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.68 61.9 1.27 Allowed Pre-proline 0 CA--C 1.541 0.603 0 C-N-CA 124.243 1.017 . . . . 54.13 112.158 175.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -85.68 -18.13 3.91 Favored 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 123.155 2.57 . . . . 73.41 113.841 163.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.454 ' CE1' HD21 ' A' ' 69' ' ' LEU . 1.1 m-85 -124.15 -65.01 1.09 Allowed 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 121.214 1.824 . . . . 73.44 110.219 -177.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.89 114.52 28.78 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 125.585 1.554 . . . . 70.23 108.153 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.5 t -84.86 105.44 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 N-CA-C 106.908 -1.516 . . . . 72.1 106.908 173.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.6 mt -78.6 163.75 25.24 Favored 'General case' 0 N--CA 1.464 0.246 0 O-C-N 121.325 -0.86 . . . . 64.31 111.801 -177.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.74 24.45 10.57 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.373 1.069 . . . . 54.53 112.015 -177.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.4 t 73.07 -56.4 0.66 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.587 1.555 . . . . 71.31 113.007 164.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 p -60.71 -30.68 70.1 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.529 1.531 . . . . 72.4 111.927 174.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -51.05 -31.99 20.39 Favored 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 125.318 1.447 . . . . 72.41 110.533 171.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.5 t -94.81 101.53 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 C-N-CA 124.553 1.141 . . . . 64.42 108.495 -165.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.0 111.96 19.75 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 125.872 1.669 . . . . 70.21 108.591 170.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.8 t -113.36 102.2 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 127.462 2.305 . . . . 64.41 107.693 171.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 49.4 mt -62.97 138.66 22.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 107.282 -1.377 . . . . 54.22 107.282 164.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 46' ' ' ASN . 43.7 mttt -126.81 149.27 49.78 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 107.781 -1.192 . . . . 71.4 107.781 178.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -44.39 -86.77 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.555 1.542 . . . . 71.4 113.486 -177.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.6 mttp 172.41 -55.77 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 127.828 2.451 . . . . 64.2 105.461 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.9 -38.54 8.19 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 113.888 -1.506 . . . . 54.3 109.715 -166.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.5 p -77.98 -14.06 59.66 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 120.875 0.369 . . . . 63.13 111.961 -171.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 56.3 14.52 1.6 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 127.186 2.195 . . . . 73.13 113.262 -167.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.477 HD22 ' HB2' ' A' ' 13' ' ' PRO . 27.4 mt -89.93 179.5 5.95 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.989 1.716 . . . . 73.02 111.36 174.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.456 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 8.2 p30 -114.65 165.11 13.14 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.631 1.572 . . . . 72.14 110.916 -174.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -79.29 -14.8 58.79 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.04 1.336 . . . . 53.54 112.446 -175.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.4 12.93 34.38 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 125.526 1.536 . . . . 53.42 114.73 174.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -148.96 159.33 44.31 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 125.352 1.461 . . . . 63.11 108.136 173.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -139.28 165.65 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 123.945 0.898 . . . . 43.33 108.747 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -121.34 137.94 54.48 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.408 -1.701 . . . . 74.31 106.408 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.7 mt -139.82 122.1 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 127.21 2.204 . . . . 72.41 107.852 -172.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.9 152.13 48.88 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 119.079 0.854 . . . . 70.33 111.222 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.2 mt -137.13 -174.49 3.75 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.513 2.325 . . . . 71.31 109.254 -168.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.74 155.74 15.33 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.38 1.072 . . . . 73.23 109.795 165.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.1 p -61.93 -49.36 76.45 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.734 0.778 . . . . 71.42 112.742 -169.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 74.2 mt -67.29 -46.65 83.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 124.128 0.971 . . . . 63.22 109.816 174.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.08 -48.33 82.18 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 124.278 1.031 . . . . 73.43 110.959 -171.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.99 -58.76 4.79 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.943 1.297 . . . . 74.2 110.071 176.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.35 -41.58 96.69 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.875 0.87 . . . . 72.24 111.492 -174.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -58.74 -57.65 12.08 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.504 -0.747 . . . . 73.02 109.842 176.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.431 HD12 ' CD2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -62.24 -42.04 98.96 Favored 'General case' 0 N--CA 1.455 -0.208 0 O-C-N 123.644 0.59 . . . . 72.02 109.593 -173.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.7 tp -53.2 -44.32 67.87 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 122.676 0.391 . . . . 71.02 110.849 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -65.92 -28.3 68.83 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 117.842 0.292 . . . . 73.32 111.553 -176.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 74.5 mt -60.59 -55.6 23.37 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 N-CA-C 108.102 -1.073 . . . . 65.01 108.102 170.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.431 ' CD2' HD12 ' A' ' 62' ' ' LEU . 3.6 mm? -56.11 -16.04 4.55 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.482 1.113 . . . . 63.42 113.86 176.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -107.8 20.71 18.43 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.409 1.483 . . . . 71.03 111.967 178.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -139.98 -30.7 0.68 Allowed 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.755 1.222 . . . . 42.1 113.868 175.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.454 HD21 ' CE1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -92.97 -162.15 0.91 Allowed 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 114.029 1.122 . . . . 74.2 114.029 -164.635 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -76.89 152.04 82.43 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 126.961 2.104 . . . . 73.1 112.985 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.16 161.04 35.82 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 123.612 2.875 . . . . 72.13 113.391 -165.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -73.66 145.12 36.56 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 122.852 2.368 . . . . 64.21 113.032 -172.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.52 118.23 5.81 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 126.676 1.99 . . . . 71.0 109.331 168.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.17 150.34 31.72 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 124.346 1.058 . . . . 73.32 108.289 170.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.69 14.16 4.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 124.125 0.97 . . . . 70.1 110.91 -176.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -174.53 34.52 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.901 1.28 . . . . 65.1 110.464 -177.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.2 14.84 55.27 Favored Glycine 0 CA--C 1.538 1.484 0 O-C-N 120.303 -1.498 . . . . 33.34 114.896 -174.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.485 ' HE3' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -111.28 110.95 21.68 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 126.507 1.923 . . . . 64.31 109.911 172.348 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.58 119.65 19.07 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.055 -0.72 . . . . 65.24 109.055 172.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 22.9 mm -69.19 150.59 10.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 123.637 0.775 . . . . 72.24 109.775 -177.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.44 172.38 6.92 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.017 0.927 . . . . 61.43 112.115 174.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.0 t -126.58 152.77 34.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 125.894 1.678 . . . . 50.51 107.807 -174.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -155.64 172.72 17.82 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 127.808 2.443 . . . . 71.42 107.339 171.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -140.86 92.8 2.53 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 123.353 0.661 . . . . 73.42 109.238 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.41 ' HB2' HD11 ' A' ' 7' ' ' ILE . . . -82.47 68.97 9.13 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 122.348 1.07 . . . . 65.2 108.294 168.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.4 tptp . . . . . 0 N--CA 1.446 -0.662 0 N-CA-C 106.544 -1.65 . . . . 72.3 106.544 167.321 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.272 0.0 OUTLIER . . . . . 0 CA--C 1.504 -0.794 0 CA-C-O 123.582 1.658 . . . . 61.04 111.884 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.5 m -138.87 123.49 18.52 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 112.456 -2.156 . . . . 63.41 107.814 -172.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.9 mt -95.79 110.49 24.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 N-CA-C 105.033 -2.21 . . . . 70.0 105.033 175.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.0 mp -85.71 156.28 3.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.55 -0.907 . . . . 75.1 108.55 173.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.8 mp -122.93 156.08 35.42 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 125.645 1.578 . . . . 64.44 107.254 174.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -140.76 171.53 13.97 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.33 0.968 . . . . 64.54 109.928 175.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.3 t30 61.41 37.39 16.83 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.49 1.516 . . . . 72.42 111.776 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.84 131.25 39.6 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 105.067 -2.197 . . . . 73.54 105.067 169.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.45 ' HB2' ' HE2' ' A' ' 78' ' ' LYS . 1.4 m-20 -70.26 146.73 94.84 Favored Pre-proline 0 N--CA 1.471 0.594 0 CA-C-O 116.901 -1.524 . . . . 70.14 107.437 172.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -62.61 -18.69 65.06 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 123.46 2.773 . . . . 65.14 113.274 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -60.66 -39.19 87.47 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.497 1.119 . . . . 73.32 112.599 173.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.1 p -70.66 158.68 35.79 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.045 0.384 . . . . 72.22 111.824 -170.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.0 p -107.23 -86.13 0.5 Allowed 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 107.603 -1.258 . . . . 65.52 107.603 166.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 37.6 ttp -161.13 -68.48 0.06 Allowed 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 106.476 -1.676 . . . . 62.32 106.476 -164.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.46 -29.58 70.27 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 118.067 0.394 . . . . 72.12 111.019 -174.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 p -64.73 -24.41 67.56 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.259 1.823 . . . . 65.53 113.457 172.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.4 mt -85.9 -47.28 16.66 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.271 0 C-N-CA 124.701 1.2 . . . . 73.53 109.119 171.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.83 -36.39 64.96 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 119.087 0.858 . . . . 70.24 110.776 -175.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.82 -14.18 64.98 Favored Glycine 0 CA--C 1.534 1.233 0 CA-C-O 117.941 -1.477 . . . . 71.5 115.088 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.59 14.95 2.54 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.868 1.834 . . . . 63.23 113.392 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 tp -131.76 21.22 4.61 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.163 0.985 . . . . 73.54 111.107 172.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.435 ' HB1' HG22 ' A' ' 29' ' ' VAL . . . -126.87 58.88 31.63 Favored Pre-proline 0 CA--C 1.541 0.603 0 O-C-N 120.598 -1.314 . . . . 71.12 112.273 -174.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.92 -37.78 2.64 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 122.278 1.985 . . . . 73.31 113.306 178.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -123.98 -25.26 4.25 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.906 0.776 . . . . 74.03 112.737 -171.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.67 109.03 10.97 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 108.291 -1.003 . . . . 70.41 108.291 172.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.435 HG22 ' HB1' ' A' ' 25' ' ' ALA . 44.5 t -97.21 108.69 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 107.294 -1.373 . . . . 74.24 107.294 171.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -80.87 161.46 24.4 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 122.872 0.469 . . . . 72.54 110.093 172.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 t -74.05 36.47 0.1 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.001 1.721 . . . . 74.33 112.666 176.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t 59.97 -73.72 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.471 1.908 . . . . 70.14 111.929 -172.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.7 t -55.7 -28.53 56.19 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 126.487 1.915 . . . . 73.14 113.984 -172.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -54.4 -29.41 48.86 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 124.361 1.064 . . . . 71.22 111.357 172.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.2 t -81.39 93.68 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 C-N-CA 125.413 1.485 . . . . 72.24 108.281 168.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.05 114.33 2.53 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 120.819 -1.175 . . . . 72.11 108.819 166.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.0 t -112.68 126.83 70.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 125.082 1.353 . . . . 75.51 107.894 164.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.9 mt -87.25 127.74 40.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 N-CA-C 106.118 -1.808 . . . . 73.12 106.118 165.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -98.81 147.24 25.12 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 106.703 -1.591 . . . . 64.43 106.703 166.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.98 -24.73 67.83 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.461 0.648 . . . . 74.53 110.583 175.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt 74.55 -56.99 0.62 Allowed 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 129.09 2.956 . . . . 63.54 111.42 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -61.77 -36.42 80.99 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 119.511 1.05 . . . . 74.23 111.483 -172.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.5 p -94.28 -12.84 27.29 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 126.035 1.734 . . . . 55.0 111.88 -176.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 70.92 -15.15 0.41 Allowed 'General case' 0 C--N 1.344 0.358 0 C-N-CA 128.628 2.771 . . . . 73.41 114.318 -163.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.1 mt -69.68 172.01 8.15 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 124.288 1.035 . . . . 72.12 110.835 -173.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -101.25 170.13 8.45 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.434 1.093 . . . . 63.12 112.051 170.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -90.49 -14.04 33.52 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.784 0.834 . . . . 75.43 112.612 -176.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.0 13.8 22.51 Favored Glycine 0 CA--C 1.528 0.845 0 CA-C-N 118.955 0.798 . . . . 74.21 113.886 164.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -149.71 170.13 19.42 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 126.602 1.961 . . . . 63.12 107.448 177.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.31 173.42 16.19 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.283 -0.885 . . . . 55.21 108.949 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -139.75 104.89 5.01 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 124.336 1.054 . . . . 74.23 108.303 -172.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.8 mt -70.35 141.78 16.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 120.02 1.282 . . . . 74.34 109.769 165.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -116.23 137.7 51.92 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 107.837 -1.171 . . . . 75.3 107.837 162.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.5 mt -142.17 173.51 11.45 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.44 1.896 . . . . 73.24 108.393 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.15 157.77 2.48 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.98 0.912 . . . . 63.33 110.24 167.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 m -57.42 -57.39 12.87 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.018 0.927 . . . . 63.41 110.852 -171.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.2 mt -70.28 -41.68 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-O 118.335 -0.841 . . . . 72.41 110.317 177.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -57.78 -49.8 75.39 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 119.444 1.02 . . . . 72.31 111.639 -176.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.29 -55.11 11.45 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.151 0.981 . . . . 74.02 109.952 174.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.4 -39.45 85.55 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 112.998 0.74 . . . . 65.21 112.998 -175.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -64.66 -62.25 1.7 Allowed 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 124.108 0.963 . . . . 63.21 109.166 178.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -39.52 75.3 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.967 0.907 . . . . 74.03 109.704 -170.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 tp -52.19 -49.5 63.75 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 119.279 -0.391 . . . . 70.21 110.658 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -61.64 -31.4 71.49 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.367 0.667 . . . . 70.34 111.287 -176.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.6 mt -59.98 -59.01 4.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 106.92 -1.511 . . . . 73.32 106.92 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -58.0 -32.18 67.66 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.185 0.994 . . . . 71.33 111.92 176.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -81.02 13.59 2.66 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.881 0.872 . . . . 71.34 112.842 -177.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -136.06 -37.82 0.71 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.66 1.184 . . . . 71.12 112.3 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 pp -74.38 -175.03 2.19 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.562 0.619 . . . . 74.35 111.076 171.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -48.26 160.73 0.41 Allowed Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 126.241 1.816 . . . . 65.44 112.985 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -65.6 168.34 15.06 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.392 2.061 . . . . 44.21 113.312 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.51 167.78 26.12 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.406 2.737 . . . . 52.52 112.84 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.451 HD23 ' H ' ' A' ' 74' ' ' THR . 0.2 OUTLIER -84.81 -179.09 7.02 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 127.46 2.304 . . . . 72.32 111.031 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.451 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -143.18 160.7 39.94 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 128.734 2.814 . . . . 74.13 105.38 176.287 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.2 mp -134.64 12.59 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 C-N-CA 123.553 0.741 . . . . 54.32 110.163 174.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.504 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 0.6 OUTLIER -174.87 34.67 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 O-C-N 120.459 -1.401 . . . . 72.2 109.571 -165.298 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.12 14.65 47.61 Favored Glycine 0 CA--C 1.535 1.334 0 O-C-N 120.764 -1.21 . . . . 44.13 115.433 -177.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.504 ' HE3' ' HB2' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -112.27 99.81 8.32 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 126.83 2.052 . . . . 72.12 110.214 177.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 m -63.96 116.03 5.46 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.354 -0.98 . . . . 63.51 108.354 174.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.7 mm -62.37 157.51 3.69 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 N-CA-C 108.439 -0.948 . . . . 61.4 108.439 -178.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -116.51 162.89 16.9 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 123.501 0.72 . . . . 52.33 109.781 168.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 23.2 t -124.67 143.53 37.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 125.735 1.614 . . . . 71.42 106.69 -176.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -142.26 167.08 22.96 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 125.87 1.668 . . . . 73.31 108.85 177.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -146.91 99.32 3.17 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 124.153 0.981 . . . . 72.22 110.207 -174.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.34 78.73 1.77 Allowed 'General case' 0 C--O 1.237 0.417 0 N-CA-C 107.257 -1.386 . . . . 52.13 107.257 174.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 107.957 -1.127 . . . . 71.1 107.957 -176.682 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 122.749 1.261 . . . . 61.22 114.033 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -120.96 138.2 54.25 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 113.871 -1.513 . . . . 71.12 107.874 175.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.3 mt -115.52 116.8 53.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 105.001 -2.222 . . . . 64.44 105.001 170.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.1 mt -99.22 135.51 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 106.707 -1.59 . . . . 74.23 106.707 -175.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.6 mt -104.76 155.71 18.65 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 124.0 0.92 . . . . 73.43 109.403 174.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.43 HH11 ' HB3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -140.45 179.78 6.47 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.345 1.458 . . . . 74.13 107.903 170.163 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.0 t30 53.57 39.66 30.38 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 125.1 1.36 . . . . 71.4 111.701 -174.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 49' ' ' PHE . 0.8 OUTLIER -73.27 130.16 39.6 Favored 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 104.377 -2.453 . . . . 72.34 104.377 162.852 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.417 ' H ' ' HG3' ' A' ' 78' ' ' LYS . 4.1 m-20 -68.35 146.7 98.03 Favored Pre-proline 0 C--O 1.241 0.655 0 N-CA-C 106.052 -1.832 . . . . 54.0 106.052 164.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -73.28 -20.92 20.66 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 122.641 2.228 . . . . 74.54 112.067 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -78.79 13.56 1.65 Allowed 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.174 0.897 . . . . 62.5 112.934 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -122.46 177.9 5.2 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.293 1.837 . . . . 64.44 111.21 170.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.55 -85.87 0.57 Allowed 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.232 1.413 . . . . 73.54 108.174 -177.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.1 ptp -156.68 -50.74 0.08 Allowed 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 119.656 1.116 . . . . 74.1 109.218 174.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -56.49 -33.53 66.08 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.297 1.039 . . . . 61.54 110.201 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -30.65 68.32 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.955 2.102 . . . . 52.21 113.197 177.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.463 HG23 HD13 ' A' ' 75' ' ' ILE . 70.1 mt -100.97 -51.65 9.34 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 C-N-CA 127.706 2.403 . . . . 73.54 107.478 -171.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.412 HD22 ' HB2' ' A' ' 30' ' ' LEU . 42.1 mt -51.0 -37.04 42.64 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 125.649 1.58 . . . . 75.23 112.275 -175.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.79 -13.94 72.42 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-O 118.559 -1.134 . . . . 40.43 114.104 -178.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -133.52 14.08 4.1 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.746 1.273 . . . . 71.22 111.607 178.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.4 tp -122.65 30.92 6.27 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 124.78 1.232 . . . . 75.2 107.778 174.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.28 54.42 8.21 Favored Pre-proline 0 CA--C 1.536 0.405 0 C-N-CA 124.418 1.087 . . . . 74.14 113.032 -176.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -71.78 -18.25 28.57 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 121.803 1.668 . . . . 64.5 113.536 173.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -142.06 -24.04 0.68 Allowed 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 120.099 1.318 . . . . 75.41 113.915 -175.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -134.7 138.87 44.78 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 125.028 1.331 . . . . 73.43 107.455 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 t -129.06 94.99 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 105.888 -1.893 . . . . 72.34 105.888 -168.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.412 ' HB2' HD22 ' A' ' 21' ' ' LEU . 40.5 mt -89.04 160.18 17.21 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.954 0.902 . . . . 75.4 110.834 -165.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 m -98.68 23.54 8.57 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.521 -0.737 . . . . 54.5 112.758 -166.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 m 58.18 -45.8 0.05 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 127.585 2.354 . . . . 75.14 115.122 -167.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 p -58.56 -29.65 66.54 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 120.785 1.629 . . . . 74.41 111.95 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -57.74 -23.72 53.39 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 125.554 1.542 . . . . 74.3 112.65 173.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.6 t -108.86 99.09 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 123.909 0.884 . . . . 72.14 109.141 -164.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -64.38 104.24 0.75 Allowed 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.798 0.839 . . . . 75.43 109.692 172.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.3 t -110.75 91.45 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.12 0 C-N-CA 126.465 1.906 . . . . 54.21 108.044 172.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.9 mt -65.46 144.95 14.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 N-CA-C 106.377 -1.712 . . . . 72.45 106.377 164.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -123.03 159.46 28.37 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 124.328 1.051 . . . . 75.25 109.657 169.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.32 161.34 25.26 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.833 -1.076 . . . . 74.43 109.949 174.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -96.18 -19.9 19.0 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.353 0.871 . . . . 75.12 113.353 176.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -102.88 -36.52 8.2 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 117.972 -1.013 . . . . 54.41 108.938 -165.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.47 HG23 ' H ' ' A' ' 45' ' ' LEU . 13.7 t -103.43 -14.49 16.22 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 118.547 0.612 . . . . 64.45 111.419 173.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.6 mm-40 70.49 -12.73 0.51 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.253 1.421 . . . . 75.52 114.084 -168.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.47 ' H ' HG23 ' A' ' 43' ' ' THR . 84.9 mt -56.44 150.67 14.61 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 120.146 1.339 . . . . 63.13 111.739 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.448 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 8.8 p30 -63.54 160.95 15.49 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 108.918 -0.771 . . . . 61.11 108.918 170.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -76.26 -12.83 60.15 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.545 1.313 . . . . 73.43 114.545 -171.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.76 13.3 44.21 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 125.954 1.74 . . . . 71.4 112.641 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.463 ' HA ' HD23 ' A' ' 11' ' ' LEU . 21.7 p90 -152.69 165.75 34.3 Favored 'General case' 0 C--O 1.241 0.654 0 C-N-CA 125.948 1.699 . . . . 75.24 108.562 177.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -151.61 167.99 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 124.116 0.966 . . . . 75.12 109.497 175.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -131.62 108.05 9.25 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 106.943 -1.503 . . . . 72.12 106.943 -176.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.3 mt -73.43 133.46 31.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 N-CA-C 107.107 -1.442 . . . . 75.3 107.107 169.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.88 91.0 3.49 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 104.582 -2.377 . . . . 72.12 104.582 163.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.1 mt -81.25 178.85 8.13 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.028 -1.101 . . . . 75.22 108.028 163.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 t -71.7 173.24 8.41 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.723 -0.611 . . . . 62.21 109.53 164.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.9 p -58.43 -66.97 0.4 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.335 1.054 . . . . 73.54 110.936 -175.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.0 mm -63.92 -39.01 83.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 123.787 0.835 . . . . 60.42 109.305 -176.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.58 -52.2 64.56 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.555 1.142 . . . . 64.33 109.82 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.43 -50.95 69.48 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.391 1.077 . . . . 44.41 109.891 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.14 -52.1 66.65 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.779 0.831 . . . . 55.0 110.87 -174.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -59.56 -55.87 29.05 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 118.63 -0.7 . . . . 75.4 109.35 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -53.1 -48.06 68.1 Favored 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 123.772 0.829 . . . . 60.14 110.687 -174.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 tp -56.36 -55.25 35.85 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 122.899 0.48 . . . . 74.53 109.801 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -64.49 -33.99 77.18 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.266 0.626 . . . . 71.24 110.958 -174.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 36.3 mt -59.53 -63.38 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 123.755 0.822 . . . . 72.22 109.926 169.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.3 mt -54.08 -37.57 64.38 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.77 1.168 . . . . 74.21 112.527 -176.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -78.02 14.59 1.09 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.881 0.872 . . . . 70.54 112.491 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -117.64 -16.52 10.08 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 117.876 -1.059 . . . . 73.53 113.359 172.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 pp -127.2 179.99 5.16 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.552 1.141 . . . . 72.2 111.463 -159.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -45.41 144.71 2.24 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 124.608 1.163 . . . . 71.11 112.827 -177.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.12 160.73 47.47 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.251 1.967 . . . . 62.2 113.1 -172.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -60.73 139.67 86.76 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 123.679 2.919 . . . . 73.52 113.336 -174.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -73.7 123.46 24.13 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 127.635 2.374 . . . . 74.34 109.637 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.49 142.27 31.04 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.223 1.009 . . . . 75.31 110.297 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.463 HD13 HG23 ' A' ' 20' ' ' ILE . 0.2 OUTLIER -136.2 51.31 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 124.237 1.015 . . . . 72.5 109.816 177.574 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 t0 173.84 17.58 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 128.992 2.917 . . . . 63.12 111.316 162.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.08 33.75 62.1 Favored Glycine 0 CA--C 1.527 0.833 0 O-C-N 121.353 -0.842 . . . . 74.34 111.781 -165.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.468 ' HE3' HD11 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -126.56 96.03 4.54 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 120.746 -1.443 . . . . 71.34 111.76 171.13 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.7 m -59.43 111.78 1.51 Allowed 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.301 -1.499 . . . . 62.31 107.83 173.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.468 HD11 ' HE3' ' A' ' 78' ' ' LYS . 43.7 mm -64.34 144.27 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 N-CA-C 108.193 -1.04 . . . . 74.51 108.193 -178.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.5 162.69 13.54 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 123.016 0.527 . . . . 75.53 110.352 173.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.3 t -125.0 148.19 29.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 107.111 -1.44 . . . . 71.4 107.111 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -151.47 169.43 22.06 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 128.822 2.849 . . . . 74.52 107.209 169.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -130.18 139.81 50.81 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 126.586 1.955 . . . . 71.24 106.357 178.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -140.21 86.31 2.07 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 107.509 -1.293 . . . . 71.24 107.509 171.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.663 0 N-CA-C 106.949 -1.501 . . . . 74.41 106.949 -175.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 N--CA 1.445 -0.68 0 N-CA-C 104.799 -2.297 . . . . 62.34 104.799 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.0 m -115.05 104.44 11.89 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.491 -1.67 . . . . 51.34 106.491 173.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.1 mt -73.73 131.13 35.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 105.202 -2.147 . . . . 74.03 105.202 167.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.3 mt -111.07 147.58 14.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 106.817 -1.549 . . . . 74.02 106.817 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -110.3 155.67 21.77 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.624 1.169 . . . . 74.05 107.983 170.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.1 mtp85 -139.54 174.49 10.46 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.317 1.047 . . . . 73.01 110.388 173.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 53.4 t30 61.42 34.15 18.35 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.354 1.862 . . . . 54.11 112.16 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 49' ' ' PHE . 0.6 OUTLIER -72.28 129.0 37.39 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 106.393 -1.706 . . . . 74.24 106.393 170.094 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.405 ' HB2' ' HE2' ' A' ' 78' ' ' LYS . 2.7 m-20 -65.22 154.11 87.97 Favored Pre-proline 0 N--CA 1.47 0.56 0 N-CA-C 106.752 -1.573 . . . . 72.33 106.752 165.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -60.63 -23.63 76.31 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 123.501 2.801 . . . . 65.43 112.804 172.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 58.5 m170 -60.71 -27.93 68.26 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.545 1.066 . . . . 73.14 112.742 170.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 m -63.04 147.57 50.31 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 108.332 -0.988 . . . . 63.14 108.332 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.411 HG23 ' H ' ' A' ' 17' ' ' MET 0.255 2.5 t -129.44 -85.83 0.54 Allowed 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 107.18 -1.415 . . . . 73.02 107.18 -178.041 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.411 ' H ' HG23 ' A' ' 16' ' ' THR . 53.7 ttp -158.28 -66.65 0.09 Allowed 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 125.595 1.558 . . . . 72.43 108.046 175.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -61.71 -31.11 71.25 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 125.706 1.602 . . . . 74.01 111.61 -174.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.5 t -55.0 -46.55 75.18 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.639 1.576 . . . . 32.44 110.061 171.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.6 mt -71.89 -47.61 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 124.924 1.29 . . . . 74.33 107.796 -176.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.85 -15.87 45.76 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 118.632 -0.699 . . . . 73.12 111.919 176.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.75 -21.05 69.66 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-O 118.36 -1.245 . . . . 63.02 113.563 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -128.99 -39.64 1.56 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.804 1.302 . . . . 65.01 112.674 -173.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.5 tp -86.53 30.67 0.7 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.583 1.953 . . . . 64.23 109.844 176.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.476 ' HB1' HG22 ' A' ' 29' ' ' VAL . . . -114.67 53.47 0.72 Allowed Pre-proline 0 CA--C 1.551 1.007 0 O-C-N 121.172 -0.955 . . . . 52.32 112.109 166.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -75.28 -30.4 6.82 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.602 2.201 . . . . 71.32 113.821 171.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -139.73 -24.87 0.83 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.611 1.096 . . . . 74.05 112.861 -171.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.48 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -138.16 114.56 10.34 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 107.709 -1.219 . . . . 65.25 107.709 -171.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.476 HG22 ' HB1' ' A' ' 25' ' ' ALA . 6.9 t -131.02 87.6 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 108.1 -1.074 . . . . 70.14 108.1 -161.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -62.21 165.82 5.46 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.525 -0.761 . . . . 70.24 111.851 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 57.7 m -77.66 35.5 0.19 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.869 1.268 . . . . 62.03 111.505 168.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.1 m 63.63 -70.64 0.07 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.863 2.065 . . . . 65.32 112.275 -178.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -24.72 67.63 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 120.348 1.431 . . . . 22.31 112.688 -168.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -50.21 -29.77 10.1 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 124.988 1.315 . . . . 71.05 111.496 169.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.4 t -81.0 91.95 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 C-N-CA 124.853 1.261 . . . . 65.33 107.668 170.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.94 111.66 2.59 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 120.784 -1.197 . . . . 51.21 108.333 169.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -109.04 119.21 58.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 125.776 1.63 . . . . 72.31 107.9 164.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.6 mt -77.17 133.49 30.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 N-CA-C 106.481 -1.674 . . . . 72.45 106.481 165.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.72 142.56 43.9 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.45 1.1 . . . . 62.04 108.463 175.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -54.36 162.74 1.01 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.089 1.356 . . . . 65.45 111.256 168.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.97 -21.78 12.68 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.113 0.965 . . . . 73.21 111.465 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.72 -62.3 1.42 Allowed 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.659 -1.237 . . . . 64.44 107.659 173.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.2 p -83.41 -14.17 53.24 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 112.141 0.423 . . . . 73.24 112.141 -163.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 72.72 -13.77 0.63 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.758 2.023 . . . . 73.34 113.431 -177.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.38 -179.07 0.14 Allowed 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 128.276 2.63 . . . . 74.05 111.391 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -102.12 173.82 6.21 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.946 0.898 . . . . 73.01 110.094 175.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.6 mmp_? -88.05 -13.74 40.74 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 115.179 1.548 . . . . 71.25 115.179 -175.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.89 13.27 22.24 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 127.237 2.351 . . . . 62.32 114.129 171.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.446 ' HA ' HD23 ' A' ' 11' ' ' LEU . 14.1 p90 -152.96 173.33 15.53 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 127.392 2.277 . . . . 54.54 107.448 176.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -150.53 168.65 23.61 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 124.628 1.171 . . . . 63.12 108.915 175.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -135.46 110.56 8.89 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.339 1.055 . . . . 64.24 108.612 -172.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.3 mt -75.24 140.74 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 120.046 1.293 . . . . 73.14 108.994 168.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -121.54 112.73 18.85 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 123.828 0.851 . . . . 70.33 109.055 169.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.4 mt -121.37 178.44 4.79 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 125.061 1.345 . . . . 72.44 110.835 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.39 148.76 4.66 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.942 0.897 . . . . 72.14 109.371 156.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.7 m -48.39 -67.07 0.3 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.788 1.635 . . . . 74.44 110.898 171.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.6 mt -69.22 -37.05 75.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 N-CA-C 109.177 -0.675 . . . . 73.25 109.177 -169.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.44 -55.7 31.33 Favored 'General case' 0 CA--C 1.523 -0.093 0 C-N-CA 123.197 0.599 . . . . 72.42 110.515 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.79 -54.96 15.99 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.61 0.764 . . . . 73.23 110.83 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.46 -33.43 75.91 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.278 0.631 . . . . 52.52 112.599 -174.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -68.48 -56.88 6.87 Favored 'General case' 0 CA--C 1.515 -0.371 0 C-N-CA 123.42 0.688 . . . . 72.25 111.045 174.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -59.26 -44.8 92.39 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 123.634 0.774 . . . . 70.44 110.014 -171.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.92 -38.77 73.32 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 120.895 -0.322 . . . . 72.35 110.661 -175.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -62.4 -31.11 71.73 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 111.886 0.328 . . . . 74.33 111.886 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.0 mt -63.73 -54.18 35.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 N-CA-C 106.945 -1.502 . . . . 74.34 106.945 177.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.693 ' HA ' HD21 ' A' ' 69' ' ' LEU . 2.4 mm? -55.21 -13.44 1.28 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.945 2.098 . . . . 73.32 114.45 178.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -97.54 14.47 26.43 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.911 1.232 . . . . 61.32 113.07 175.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.23 -33.01 1.53 Allowed 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.854 1.798 . . . . 73.44 115.854 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.693 HD21 ' HA ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -58.84 175.77 0.25 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.789 1.236 . . . . 42.41 113.502 167.387 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -55.09 155.2 9.04 Favored Pre-proline 0 CA--C 1.542 0.639 0 C-N-CA 124.625 1.17 . . . . 74.35 111.079 162.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -63.53 165.72 17.21 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.815 3.01 . . . . 72.25 114.54 -175.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -68.28 143.87 60.19 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 123.5 2.8 . . . . 54.11 113.167 -173.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.3 120.7 24.14 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 124.955 1.302 . . . . 61.05 109.76 -176.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.62 153.82 42.48 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.862 0.865 . . . . 73.22 109.239 176.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -131.77 13.21 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 123.361 0.664 . . . . 63.35 111.506 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.445 ' CB ' ' HE3' ' A' ' 78' ' ' LYS . 1.5 t70 -171.21 32.84 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.252 1.021 . . . . 65.15 109.718 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.33 16.47 71.35 Favored Glycine 0 CA--C 1.534 1.237 0 O-C-N 120.663 -1.273 . . . . 71.22 114.415 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.445 ' HE3' ' CB ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -117.14 108.63 15.93 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 127.726 2.41 . . . . 71.44 108.565 178.645 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 56.0 m -76.57 114.75 15.64 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.019 -1.104 . . . . 62.02 108.019 175.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 32.7 mm -61.11 157.6 2.94 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 125.986 1.714 . . . . 73.13 108.681 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.12 159.65 21.45 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.894 1.678 . . . . 54.55 108.327 173.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.5 t -121.17 136.69 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 125.171 1.389 . . . . 71.34 107.608 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -128.72 163.33 25.37 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 124.521 1.129 . . . . 61.02 109.587 165.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -127.03 93.22 3.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.064 -1.425 . . . . 73.31 108.78 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.0 86.16 7.36 Favored 'General case' 0 C--O 1.226 -0.137 0 N-CA-C 107.869 -1.16 . . . . 61.13 107.869 168.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.7 tptt . . . . . 0 CA--C 1.511 -0.554 0 C-N-CA 127.791 2.437 . . . . 72.41 107.959 174.404 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 CA--C 1.537 0.449 0 N-CA-C 105.502 -2.036 . . . . 74.24 105.502 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.2 m -146.78 131.49 17.92 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 105.428 -2.064 . . . . 74.35 105.428 150.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.6 mt -106.05 132.85 52.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 105.541 -2.022 . . . . 64.11 105.541 169.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.8 mt -100.82 132.19 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 N-CA-C 106.626 -1.62 . . . . 54.44 106.626 170.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.1 mt -89.65 151.07 22.07 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.179 -1.045 . . . . 63.12 108.179 164.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 mtp-105 -133.02 172.76 12.2 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.458 1.103 . . . . 72.33 108.773 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.0 t30 57.83 42.02 23.93 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 125.097 1.359 . . . . 71.12 110.19 175.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.7 mt -89.34 130.48 35.71 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 105.233 -2.136 . . . . 71.14 105.233 171.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -73.62 159.14 85.23 Favored Pre-proline 0 C--O 1.237 0.435 0 N-CA-C 109.946 -0.39 . . . . 72.04 109.946 -177.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.36 -42.21 58.07 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 123.732 2.955 . . . . 75.02 111.993 174.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -67.45 -17.04 64.54 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.876 1.27 . . . . 75.02 113.987 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.5 m -70.68 172.97 7.76 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 120.786 -1.196 . . . . 75.12 109.855 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.283 1.7 t -129.2 -86.03 0.55 Allowed 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 106.031 -1.841 . . . . 62.04 106.031 165.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.535 ' HB3' HG21 ' A' ' 37' ' ' VAL . 3.6 ptp -159.45 -40.48 0.06 Allowed 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 119.964 1.256 . . . . 74.35 109.542 166.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.31 -25.63 68.4 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.007 0.367 . . . . 73.21 111.591 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -49.18 -43.07 41.83 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.344 1.458 . . . . 73.24 110.667 169.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.1 mp -87.34 -48.99 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 C-N-CA 125.447 1.499 . . . . 64.44 108.647 -178.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.446 HD21 HG21 ' A' ' 35' ' ' VAL . 81.8 mt -65.05 -28.7 69.66 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 113.51 0.93 . . . . 75.23 113.51 -166.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -97.02 14.14 64.19 Favored Glycine 0 CA--C 1.523 0.544 0 CA-C-O 118.765 -1.02 . . . . 61.23 113.121 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -124.38 -64.63 1.1 Allowed 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.617 1.567 . . . . 61.25 107.971 175.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.77 45.53 1.3 Allowed 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 127.071 2.148 . . . . 74.32 110.145 -169.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.634 ' HB1' HG22 ' A' ' 29' ' ' VAL . . . -122.03 54.0 4.86 Favored Pre-proline 0 CA--C 1.539 0.544 0 O-C-N 121.202 -0.936 . . . . 75.54 112.52 171.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -72.52 -18.41 25.84 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.901 1.734 . . . . 60.32 113.561 171.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -129.93 -25.06 2.58 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 119.098 0.863 . . . . 75.54 113.162 -173.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.43 116.18 6.33 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 107.835 -1.172 . . . . 74.53 107.835 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.634 HG22 ' HB1' ' A' ' 25' ' ' ALA . 31.6 t -105.91 95.96 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 107.133 -1.432 . . . . 55.11 107.133 179.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -76.96 164.12 26.07 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 110.438 -0.208 . . . . 72.55 110.438 172.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 m -83.66 160.94 21.24 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.645 0.736 . . . . 62.03 110.916 155.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.2 p -60.4 -28.16 68.02 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.05 0.94 . . . . 63.11 112.854 173.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 p -67.14 -33.04 74.59 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 124.409 1.083 . . . . 72.14 111.713 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -73.68 -22.67 59.87 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 117.945 -1.026 . . . . 64.44 110.293 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.446 HG21 HD21 ' A' ' 21' ' ' LEU . 41.4 t -108.6 88.47 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-O 123.105 1.431 . . . . 52.54 109.331 -172.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -65.22 109.46 2.23 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 114.373 -1.285 . . . . 73.03 109.88 172.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.535 HG21 ' HB3' ' A' ' 17' ' ' MET . 41.2 t -110.29 107.53 23.14 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.18 0 C-N-CA 125.762 1.625 . . . . 75.45 107.124 169.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 49.3 mt -66.38 119.45 11.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 N-CA-C 106.568 -1.641 . . . . 72.35 106.568 167.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -82.57 154.56 24.94 Favored 'General case' 0 N--CA 1.44 -0.937 0 N-CA-C 108.658 -0.868 . . . . 73.32 108.658 162.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -60.51 -26.38 66.8 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.895 0.855 . . . . 74.01 110.212 163.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm 75.14 -67.98 0.23 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 127.937 2.495 . . . . 64.31 107.751 -171.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -61.46 -47.36 86.03 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 120.002 1.274 . . . . 72.45 113.791 -169.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.7 p -74.63 -13.32 60.63 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.601 0.76 . . . . 75.42 110.839 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 63.26 14.33 7.71 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 129.945 3.298 . . . . 63.23 112.706 -170.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.6 mt -91.93 175.28 6.94 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.08 0.952 . . . . 61.15 109.316 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -88.51 -173.3 4.11 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.631 0.772 . . . . 75.23 109.864 172.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -95.54 -13.82 24.14 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.423 -0.798 . . . . 74.02 112.025 161.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.99 12.97 51.31 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.394 1.473 . . . . 52.55 114.203 168.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -135.61 165.85 24.58 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.386 1.475 . . . . 75.31 107.215 161.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.73 160.95 37.82 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 124.238 1.015 . . . . 71.21 109.184 175.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -118.65 108.92 15.51 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.779 -1.193 . . . . 74.22 107.779 -177.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 18.8 mt -79.68 142.81 13.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 125.149 1.379 . . . . 72.45 108.195 170.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -128.91 95.75 4.17 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 126.466 1.907 . . . . 61.31 107.801 171.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mt -96.79 -173.01 2.6 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.033 0.933 . . . . 73.32 110.497 -177.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.46 151.31 46.65 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.018 1.327 . . . . 71.44 108.623 157.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.7 m -48.31 -60.18 2.86 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.266 1.026 . . . . 60.43 111.517 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.7 mm -69.63 -45.16 78.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 C-N-CA 123.418 0.687 . . . . 75.24 109.245 -173.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -55.19 -45.52 75.82 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.203 0.601 . . . . 74.34 109.948 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.26 -54.0 35.83 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.959 1.304 . . . . 60.44 109.534 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.21 -48.49 81.25 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.193 0.997 . . . . 71.41 110.712 -169.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -66.05 -51.92 53.76 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.336 0.655 . . . . 74.23 110.146 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -52.91 -41.79 64.76 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 123.817 0.847 . . . . 75.52 111.389 -178.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.3 tp -56.09 -48.95 75.16 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.241 -0.651 . . . . 71.25 109.241 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -61.19 -34.95 75.9 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 117.802 0.274 . . . . 71.12 111.481 -179.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 67.1 mt -64.69 -54.52 29.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 108.276 -1.009 . . . . 73.32 108.276 175.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.9 mt -56.39 -18.99 12.78 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.888 1.069 . . . . 74.45 113.888 175.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -97.82 12.88 32.45 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 118.983 0.811 . . . . 63.52 111.733 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -147.71 -21.39 0.37 Allowed 'General case' 0 C--O 1.236 0.36 0 N-CA-C 115.176 1.547 . . . . 75.35 115.176 -175.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -175.25 5.32 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.465 1.106 . . . . 75.35 112.525 178.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.33 144.84 81.95 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 123.559 0.744 . . . . 64.12 112.404 171.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -66.09 160.16 46.0 Favored 'Trans proline' 0 N--CA 1.455 -0.764 1 C-N-CA 125.64 4.227 . . . . 72.44 113.724 -171.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -77.26 149.09 27.65 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 123.271 2.647 . . . . 64.11 114.911 -171.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.29 122.52 18.53 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 127.961 2.504 . . . . 62.41 109.08 171.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.87 144.23 43.47 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 124.48 1.112 . . . . 52.55 110.233 179.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.0 17.78 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.144 0.978 . . . . 74.42 111.966 -176.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.491 ' HB3' ' HE3' ' A' ' 78' ' ' LYS . 15.7 t70 -164.58 29.07 0.07 Allowed 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.121 -0.987 . . . . 74.23 110.214 167.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.32 18.07 77.96 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.332 0.968 . . . . 43.35 114.676 -170.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.491 ' HE3' ' HB3' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -121.48 119.19 31.3 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.719 2.008 . . . . 74.15 110.82 175.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.04 124.66 26.68 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 120.877 -1.14 . . . . 54.44 110.51 174.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.1 mm -67.25 147.84 12.36 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 119.535 1.062 . . . . 74.41 110.063 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -130.07 176.29 8.2 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 124.548 1.139 . . . . 60.01 111.454 174.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 t -133.56 136.42 54.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 124.215 1.006 . . . . 74.34 108.94 -167.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -125.23 164.14 20.95 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.201 -1.037 . . . . 72.14 108.201 158.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -119.06 111.73 18.66 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 105.749 -1.945 . . . . 75.31 105.749 178.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.03 47.67 1.09 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 124.661 1.185 . . . . 64.15 109.198 -172.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.458 ' HA ' ' HE2' ' A' ' 86' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.323 0 N-CA-C 107.777 -1.194 . . . . 72.34 107.777 176.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.4 ' OD1' ' HE2' ' A' ' 86' ' ' LYS . 1.6 m-20 . . . . . 0 N--CA 1.444 -0.735 0 CA-C-O 125.143 2.401 . . . . 72.55 111.998 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.0 m -115.77 123.81 49.19 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 111.577 -2.556 . . . . 63.21 108.794 171.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 52.2 mt -93.98 117.4 37.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 104.399 -2.445 . . . . 65.25 104.399 159.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.2 mp -92.38 144.11 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 106.43 -1.693 . . . . 71.35 106.43 172.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.444 ' HB3' HD21 ' A' ' 11' ' ' LEU . 10.0 mp -110.28 150.78 28.23 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 106.997 -1.483 . . . . 64.12 106.997 167.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.4 mtp85 -130.18 170.72 13.7 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 107.421 -1.326 . . . . 74.43 107.421 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 51.1 t30 67.3 30.11 7.23 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.014 1.725 . . . . 72.44 113.222 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.444 HD21 ' HB3' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -73.46 117.34 15.1 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 119.901 -1.749 . . . . 74.15 107.454 174.404 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.499 ' H ' ' HE3' ' A' ' 78' ' ' LYS . 2.2 m-20 -67.96 162.26 60.65 Favored Pre-proline 0 C--O 1.235 0.336 0 C-N-CA 123.56 0.744 . . . . 72.43 110.167 175.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.739 ' HB2' HD22 ' A' ' 45' ' ' LEU . 71.6 Cg_endo -71.02 -31.54 14.8 Favored 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 123.547 2.831 . . . . 60.21 112.128 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.64 -14.98 61.72 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.47 1.108 . . . . 73.0 113.688 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.0 m -90.36 166.49 13.27 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.903 1.229 . . . . 72.44 109.877 167.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 t -135.83 -39.92 0.7 Allowed 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 125.268 1.427 . . . . 61.41 110.058 176.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.6 ttp -175.06 -60.08 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.693 0 C-N-CA 126.101 1.76 . . . . 74.24 108.686 165.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -51.85 -31.57 28.38 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 126.412 1.885 . . . . 65.41 113.153 -163.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.7 m -63.35 -59.62 4.46 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 109.988 -0.375 . . . . 75.23 109.988 173.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.3 mt -53.69 -43.83 56.45 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 C-N-CA 124.474 1.11 . . . . 73.35 108.302 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.7 tp -69.13 -21.85 64.0 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 113.567 0.951 . . . . 72.55 113.567 -166.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -107.37 -22.48 7.42 Favored Glycine 0 CA--C 1.526 0.779 0 CA-C-O 119.218 -0.768 . . . . 52.03 112.452 177.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.23 -46.88 12.16 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 118.79 1.295 . . . . 62.45 109.393 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.0 tp -81.78 20.17 0.99 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.899 0.88 . . . . 63.25 110.133 -173.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.51 53.27 2.95 Favored Pre-proline 0 CA--C 1.543 0.699 0 C-N-CA 125.124 1.37 . . . . 72.41 113.862 -171.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -68.79 -23.22 35.84 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 121.397 1.398 . . . . 60.41 112.112 167.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -130.53 -24.22 2.52 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.573 1.149 . . . . 73.15 112.704 -176.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.53 103.58 4.11 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.792 0.837 . . . . 72.23 110.351 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.7 t -80.54 108.07 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 104.121 -2.548 . . . . 62.43 104.121 157.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.16 157.03 35.27 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 119.528 -0.869 . . . . 71.11 109.934 167.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 m -84.69 155.34 21.98 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 121.98 0.895 . . . . 65.14 109.271 168.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.4 p -64.19 -24.92 67.85 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 114.008 1.114 . . . . 73.14 114.008 -172.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 t -64.52 -48.42 75.18 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.231 -0.655 . . . . 64.45 109.231 173.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -63.08 -17.92 62.82 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 124.978 1.311 . . . . 71.54 112.405 -172.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.2 t -118.31 96.24 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-O 122.719 1.247 . . . . 71.13 109.935 -170.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.4 112.42 16.62 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 108.125 -1.065 . . . . 54.52 108.125 170.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.5 t -108.1 101.48 12.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 103.761 -2.681 . . . . 65.34 103.761 160.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.1 mt -68.57 136.23 26.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 N-CA-C 106.055 -1.832 . . . . 72.32 106.055 171.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -129.82 160.93 31.97 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.63 0.772 . . . . 62.3 109.331 177.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -68.67 -175.48 0.68 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.778 0.831 . . . . 64.33 112.024 -175.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.21 -40.81 4.33 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.363 1.465 . . . . 61.01 111.234 174.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -101.99 -36.82 8.47 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.388 0.675 . . . . 51.21 110.801 -172.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.3 p -81.24 -21.5 39.42 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.752 0.705 . . . . 73.31 110.716 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.2 mm-40 56.95 44.78 22.42 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.765 2.026 . . . . 54.12 111.304 -174.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.739 HD22 ' HB2' ' A' ' 13' ' ' PRO . 9.1 mt -137.83 159.8 41.01 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.536 1.062 . . . . 63.1 110.862 177.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -56.97 162.89 2.23 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.18 1.392 . . . . 61.24 111.822 178.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.95 -14.53 61.06 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.035 -1.04 . . . . 70.13 111.754 167.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.89 -14.31 52.74 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 119.937 1.244 . . . . 73.04 114.229 178.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.442 ' HA ' HD23 ' A' ' 11' ' ' LEU . 6.3 p90 -128.53 163.73 24.33 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 119.51 1.655 . . . . 64.43 109.235 169.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -147.09 157.01 43.47 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.727 1.211 . . . . 64.44 110.406 -171.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -130.12 99.09 4.94 Favored 'General case' 0 C--N 1.334 -0.093 0 C-N-CA 124.423 1.089 . . . . 73.1 111.321 -158.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.6 mt -79.59 137.87 20.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 N-CA-C 108.061 -1.088 . . . . 71.22 108.061 170.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.06 119.02 31.26 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.734 2.014 . . . . 73.55 105.766 169.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.2 mt -124.22 169.01 12.16 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.519 1.128 . . . . 73.14 108.681 176.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.405 ' HB3' ' CG ' ' A' ' 58' ' ' GLU . 10.2 t -65.24 164.6 13.03 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.119 0.568 . . . . 63.25 110.44 175.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.5 p -53.29 -67.18 0.28 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.235 1.414 . . . . 50.45 111.722 -167.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.4 mm -68.75 -37.92 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 O-C-N 121.271 -0.893 . . . . 71.45 110.186 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.405 ' CG ' ' HB3' ' A' ' 55' ' ' SER . 16.6 mm-40 -57.93 -49.35 77.05 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 124.41 1.084 . . . . 74.55 110.904 -173.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.17 -54.04 41.7 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.045 1.338 . . . . 72.43 110.445 176.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.76 -43.84 92.0 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.934 0.493 . . . . 71.44 110.556 -176.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -59.43 -56.29 23.9 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 123.799 0.84 . . . . 64.14 110.301 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -54.53 -52.1 63.09 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 124.373 1.046 . . . . 75.23 109.261 -177.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.9 tp -50.54 -53.6 28.98 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.685 0.794 . . . . 73.14 110.623 -176.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -63.92 -23.44 67.34 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.62 0.6 . . . . 64.22 112.62 -172.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.7 mt -66.69 -59.88 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 N-CA-C 108.002 -1.11 . . . . 75.23 108.002 174.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.17 -22.81 63.38 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.289 -0.882 . . . . 54.03 112.698 -178.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -84.97 14.43 4.92 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.008 1.323 . . . . 71.44 113.273 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.51 -43.32 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 123.777 0.831 . . . . 64.45 111.99 -178.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 pp -77.08 -168.89 1.18 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.219 1.408 . . . . 44.31 112.565 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -53.05 157.16 3.08 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 126.354 1.862 . . . . 63.44 113.214 -177.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -66.56 161.52 40.98 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 123.209 2.606 . . . . 71.43 112.151 -176.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -63.76 141.82 80.35 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 123.107 2.538 . . . . 74.31 112.648 -176.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.53 114.48 16.41 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 126.153 1.781 . . . . 72.42 108.613 -175.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.2 t -71.08 159.34 34.88 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.955 0.883 . . . . 75.41 110.826 172.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -138.44 15.95 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 125.968 1.707 . . . . 73.31 110.399 -175.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.1 t70 178.19 42.62 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 127.563 2.345 . . . . 44.14 109.093 173.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.46 -14.23 1.89 Allowed Glycine 0 CA--C 1.535 1.298 0 O-C-N 120.286 -1.509 . . . . 55.33 115.716 -178.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.499 ' HE3' ' H ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -83.63 109.45 17.45 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 120.342 2.071 . . . . 71.15 109.371 177.777 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.53 113.92 6.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 121.205 1.82 . . . . 75.43 108.694 174.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.6 mm -59.12 165.27 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-O 122.232 1.015 . . . . 74.22 109.306 178.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.48 161.13 27.79 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 126.97 2.108 . . . . 52.35 107.217 -176.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 19.4 t -129.83 143.24 41.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 105.543 -2.021 . . . . 62.31 105.543 177.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.08 165.05 28.5 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 124.969 1.308 . . . . 75.31 108.413 178.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -141.17 105.34 4.81 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.15 -1.055 . . . . 75.51 108.15 -174.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.13 65.79 1.21 Allowed 'General case' 0 C--O 1.239 0.519 0 CA-C-O 122.716 1.246 . . . . 45.25 109.592 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HE2' ' OD1' ' A' ' 4' ' ' ASP . 3.6 tmtt? . . . . . 0 CA--C 1.544 0.739 0 C-N-CA 128.869 2.867 . . . . 73.22 111.921 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 CA--C 1.533 0.292 0 CA-C-O 122.619 1.2 . . . . 51.33 108.456 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.7 m -120.38 124.47 45.58 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 125.006 1.322 . . . . 72.23 108.441 -174.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 52' ' ' ILE . 18.2 mt -86.96 134.11 28.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 106.135 -1.802 . . . . 74.23 106.135 165.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mp -112.0 155.1 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 106.897 -1.52 . . . . 51.23 106.897 162.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.6 mt -125.58 159.67 31.52 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 125.286 1.435 . . . . 75.44 108.704 177.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.504 ' HB2' ' HB2' ' A' ' 81' ' ' ASN . 33.7 mtt-85 -134.35 163.15 30.3 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.86 0.864 . . . . 73.12 109.42 173.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 58.8 t30 74.18 39.57 0.48 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.639 1.976 . . . . 71.11 112.698 175.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.37 97.85 10.22 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 120.207 -1.558 . . . . 63.42 108.208 176.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.569 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 2.1 m-20 -49.53 154.6 1.57 Allowed Pre-proline 0 N--CA 1.479 0.994 0 C-N-CA 123.846 0.858 . . . . 74.24 111.068 175.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.444 ' HB2' HD22 ' A' ' 45' ' ' LEU . 30.9 Cg_endo -56.49 -47.73 22.48 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.694 2.929 . . . . 72.3 112.129 -175.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -83.86 13.86 4.51 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.479 0.918 . . . . 73.33 113.479 -175.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.6 t -73.57 -22.54 60.03 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 114.816 1.413 . . . . 74.45 114.816 -172.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.13 -164.86 0.22 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.954 1.302 . . . . 53.23 112.939 -175.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 61.9 ttp -115.46 -59.02 2.06 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 124.433 1.093 . . . . 62.12 109.191 170.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -60.57 -30.48 69.82 Favored 'General case' 0 N--CA 1.462 0.142 0 O-C-N 123.482 0.489 . . . . 70.44 111.353 -173.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.6 t -49.68 -63.47 1.1 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.942 1.697 . . . . 64.01 110.065 168.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.6 mt -60.31 -42.79 91.94 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.253 0 C-N-CA 125.727 1.611 . . . . 75.14 109.616 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.462 HD21 HG21 ' A' ' 35' ' ' VAL . 36.3 mt -53.95 -44.32 70.61 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 119.575 1.08 . . . . 75.22 109.76 177.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -86.38 14.18 55.46 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-O 117.281 -1.844 . . . . 73.41 115.232 -177.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.55 -37.85 0.68 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.137 1.468 . . . . 73.55 112.786 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 tp -95.14 31.31 1.94 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 127.27 2.228 . . . . 44.02 110.042 -178.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.404 ' HB1' ' HA ' ' A' ' 29' ' ' VAL . . . -128.77 54.29 13.63 Favored Pre-proline 0 CA--C 1.54 0.574 0 O-C-N 121.202 -0.937 . . . . 73.15 112.119 173.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.86 -32.86 13.31 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 121.386 1.391 . . . . 72.52 112.15 176.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -107.15 -28.36 10.01 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 117.96 -1.019 . . . . 60.11 112.834 -174.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.95 133.93 12.26 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 125.617 1.567 . . . . 71.51 108.717 -169.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.404 ' HA ' ' HB1' ' A' ' 25' ' ' ALA . 17.0 t -112.66 96.35 4.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 118.917 0.781 . . . . 72.51 111.063 -163.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.59 169.95 6.97 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 125.794 1.637 . . . . 74.23 112.91 177.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.9 m -130.45 163.87 26.02 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.804 1.642 . . . . 73.45 111.679 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.8 p -76.44 -24.94 53.96 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 115.706 1.743 . . . . 74.12 115.706 -163.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.6 t -69.17 -34.86 75.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 119.13 0.877 . . . . 53.02 109.669 172.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -68.55 -37.42 79.93 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.639 -0.504 . . . . 63.24 109.639 -176.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.462 HG21 HD21 ' A' ' 21' ' ' LEU . 42.4 t -90.41 144.72 8.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 123.881 0.872 . . . . 64.21 110.784 -174.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.82 90.95 2.9 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 120.676 -1.265 . . . . 74.05 110.275 -173.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.6 t -93.58 85.79 2.0 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 C-N-CA 127.442 2.297 . . . . 72.12 107.978 169.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.6 mt -59.62 122.96 11.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 C-N-CA 125.83 1.652 . . . . 70.43 106.917 171.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -92.9 156.65 16.81 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 118.931 0.787 . . . . 73.44 109.766 172.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -71.3 175.97 4.95 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 118.652 0.66 . . . . 73.33 110.944 166.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -112.06 -14.69 13.4 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 114.53 1.307 . . . . 63.11 114.53 169.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.32 -56.41 2.63 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 120.233 1.379 . . . . 72.2 109.547 175.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.9 p -74.63 -15.1 60.83 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 119.59 1.087 . . . . 74.34 112.202 -174.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 68.22 -14.31 0.25 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.864 1.666 . . . . 70.32 113.318 -168.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.444 HD22 ' HB2' ' A' ' 13' ' ' PRO . 13.8 mt -71.9 -172.7 0.88 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.673 1.589 . . . . 53.12 110.239 -174.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.5 p30 -75.9 -173.74 2.4 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.748 2.019 . . . . 74.04 112.287 167.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -111.85 -13.83 13.62 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.162 1.785 . . . . 73.33 113.53 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.79 14.5 36.93 Favored Glycine 0 N--CA 1.469 0.873 0 CA-C-N 119.914 1.234 . . . . 51.23 114.698 172.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -145.42 168.18 21.16 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 125.645 1.578 . . . . 75.01 106.814 170.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -146.31 158.09 43.85 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 120.418 -1.426 . . . . 75.23 108.7 166.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.464 ' HB3' HE22 ' A' ' 53' ' ' GLN . 92.8 m-85 -113.08 160.11 18.51 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.066 -1.457 . . . . 71.53 107.066 176.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 45.1 mt -142.23 118.97 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 126.776 2.03 . . . . 74.25 105.611 177.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.464 HE22 ' HB3' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -111.89 86.44 2.34 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 105.541 -2.022 . . . . 61.33 105.541 -177.479 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 mt -85.52 -171.88 3.84 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.556 -0.715 . . . . 71.53 109.358 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.1 t -68.79 159.01 33.19 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 108.892 -0.781 . . . . 71.35 108.892 162.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 p -45.23 -68.92 0.16 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 127.19 2.196 . . . . 72.13 111.641 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.3 mm -62.32 -46.0 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 C-N-CA 125.212 1.405 . . . . 73.24 109.396 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -60.5 -48.8 80.16 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 123.087 0.555 . . . . 71.32 111.334 -175.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.88 -40.14 79.53 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.404 1.082 . . . . 63.53 111.14 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.96 -59.0 3.6 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.393 0.677 . . . . 72.13 110.328 174.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -48.74 -57.81 5.75 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 125.162 1.385 . . . . 42.23 110.161 -177.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -55.17 -51.04 67.78 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 124.615 1.166 . . . . 64.54 110.085 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.8 tt -57.07 -47.49 80.88 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-O 118.602 -0.713 . . . . 51.33 110.608 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -56.67 -35.8 68.85 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 122.981 0.512 . . . . 74.24 112.314 -175.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.4 mt -59.64 -65.12 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 124.559 1.144 . . . . 71.44 110.042 177.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.16 -14.55 25.82 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.767 0.827 . . . . 51.01 113.03 -176.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -95.88 14.8 22.23 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.497 1.519 . . . . 43.04 111.858 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -142.24 13.95 2.02 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 114.071 1.137 . . . . 74.31 114.071 -178.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.3 pp -163.07 145.01 10.06 Favored 'General case' 0 CA--C 1.514 -0.442 0 O-C-N 120.679 -1.263 . . . . 72.44 110.116 -175.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 55.61 167.22 0.05 OUTLIER Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.835 1.254 . . . . 74.15 113.502 175.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -69.15 169.57 17.83 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 121.086 1.191 . . . . 74.13 110.252 166.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -64.81 157.0 58.68 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 122.862 2.375 . . . . 73.21 111.258 158.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.496 HD13 ' H ' ' A' ' 74' ' ' THR . 0.2 OUTLIER -91.3 170.83 9.66 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 127.827 2.451 . . . . 72.54 108.657 -175.307 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.496 ' H ' HD13 ' A' ' 73' ' ' LEU . 10.7 t -145.23 151.15 37.93 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 121.579 -0.7 . . . . 75.34 111.255 164.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -138.2 18.52 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 127.248 2.219 . . . . 55.33 110.343 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -163.7 31.04 0.08 Allowed 'General case' 0 N--CA 1.48 1.072 0 O-C-N 119.525 -1.984 . . . . 72.35 109.567 167.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.72 13.75 59.48 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 125.017 1.294 . . . . 44.55 114.792 -173.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.569 ' HE3' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -112.36 113.96 26.43 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 119.194 1.497 . . . . 72.01 108.971 173.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.93 120.13 18.13 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.324 -0.86 . . . . 63.43 109.212 -177.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.7 mm -71.97 134.52 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 N-CA-C 109.425 -0.583 . . . . 72.31 109.425 -173.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.504 ' HB2' ' HB2' ' A' ' 9' ' ' ARG . 1.0 OUTLIER -91.5 157.89 16.78 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.436 1.494 . . . . 73.32 108.614 169.394 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.5 t -127.02 149.58 32.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 124.902 1.281 . . . . 74.53 107.579 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -142.97 164.53 29.84 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 125.683 1.593 . . . . 71.23 109.096 174.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -138.26 88.32 2.3 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 125.143 1.377 . . . . 74.25 108.161 -174.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -93.08 76.77 4.67 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 107.724 -1.213 . . . . 41.35 107.724 176.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? . . . . . 0 N--CA 1.443 -0.808 0 N-CA-C 108.499 -0.926 . . . . 73.12 108.499 -174.882 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.41 ' OD2' ' HE2' ' A' ' 86' ' ' LYS . 1.7 m-20 . . . . . 0 N--CA 1.448 -0.54 0 N-CA-C 104.297 -2.483 . . . . 54.45 104.297 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.5 m -98.45 134.04 41.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.206 -0.906 . . . . 72.41 109.101 174.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.0 mt -97.35 131.62 43.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 N-CA-C 104.988 -2.227 . . . . 75.4 104.988 163.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.6 mt -106.77 150.78 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 106.056 -1.831 . . . . 75.41 106.056 172.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 mp -120.83 155.23 34.52 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 125.061 1.344 . . . . 60.04 107.488 175.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.9 mtp85 -138.59 173.91 11.09 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.721 0.808 . . . . 71.12 109.562 175.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.7 t30 62.54 30.26 17.09 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.797 2.039 . . . . 71.21 112.184 -174.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.502 HD23 ' HA ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -71.7 124.24 24.31 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 119.545 -1.972 . . . . 71.34 105.943 173.319 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.415 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 1.9 m-20 -64.11 153.07 86.37 Favored Pre-proline 0 C--O 1.236 0.385 0 CA-C-O 118.9 -0.571 . . . . 73.13 109.685 175.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -59.21 -43.89 38.15 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 122.961 2.441 . . . . 63.1 111.34 172.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -66.71 -14.76 62.91 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.903 1.281 . . . . 75.3 113.932 176.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 t -69.44 164.46 23.0 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 120.024 1.283 . . . . 75.43 109.334 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 19' ' ' SER . 12.4 t -124.63 -164.24 1.25 Allowed 'General case' 0 C--O 1.236 0.384 0 N-CA-C 107.463 -1.31 . . . . 74.4 107.463 168.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 51.5 ttm -85.21 -55.67 3.92 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 126.565 1.946 . . . . 75.04 107.233 169.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -57.74 -28.9 64.32 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.065 1.346 . . . . 62.03 112.471 -168.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.485 ' H ' HG23 ' A' ' 16' ' ' THR . 68.5 p -71.36 -56.29 6.27 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.598 -0.89 . . . . 64.04 108.598 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mt -54.16 -42.68 57.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 125.766 1.627 . . . . 71.33 108.857 175.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.88 -21.47 64.73 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 117.503 -1.236 . . . . 72.1 113.712 -178.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -113.11 13.97 23.76 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 119.763 1.165 . . . . 54.33 113.444 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.504 ' HB3' HG12 ' A' ' 75' ' ' ILE . . . -144.51 -21.62 0.53 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 118.601 1.2 . . . . 63.33 113.386 -178.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 tp -94.06 14.56 19.49 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.957 0.799 . . . . 60.23 109.392 168.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.94 52.42 2.26 Favored Pre-proline 0 CA--C 1.544 0.714 0 N-CA-C 113.41 0.893 . . . . 71.41 113.41 -173.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.408 ' HG2' ' CD2' ' A' ' 27' ' ' TYR . 49.3 Cg_endo -73.8 -32.46 7.36 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 121.934 1.756 . . . . 71.22 111.259 165.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.408 ' CD2' ' HG2' ' A' ' 26' ' ' PRO . 73.9 m-85 -109.18 -34.54 6.55 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 119.125 0.875 . . . . 75.41 112.892 -168.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.35 141.78 33.82 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.689 -1.226 . . . . 75.41 107.689 173.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.6 t -117.18 98.78 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 N-CA-C 106.126 -1.805 . . . . 71.24 106.126 -174.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.4 mt -75.51 178.5 5.92 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.007 1.323 . . . . 64.44 110.074 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 t -124.59 171.94 9.63 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 122.141 0.972 . . . . 74.2 110.961 169.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.5 m -68.91 -24.44 64.3 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.971 1.309 . . . . 64.3 113.324 -169.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.6 t -80.39 -25.77 38.91 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.656 1.117 . . . . 73.13 110.573 172.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -69.98 -47.99 60.01 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 119.3 0.955 . . . . 54.31 108.813 176.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.0 t -75.21 143.65 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 121.768 0.794 . . . . 62.1 110.056 -177.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -129.05 112.35 13.92 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 106.946 -1.501 . . . . 71.33 106.946 168.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.2 t -110.1 100.23 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 104.793 -2.299 . . . . 74.02 104.793 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.1 mt -74.42 128.29 36.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 N-CA-C 106.344 -1.724 . . . . 60.34 106.344 177.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 46' ' ' ASN . 92.1 mttt -89.1 155.51 19.4 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 123.108 0.563 . . . . 73.13 110.131 172.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -30.07 56.72 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.327 1.451 . . . . 54.53 111.771 174.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.1 mttp 73.84 -20.93 0.28 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 127.376 2.27 . . . . 75.11 113.914 163.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.1 -65.87 0.64 Allowed 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 107.796 -1.187 . . . . 62.4 107.796 157.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.6 p -92.12 12.7 21.23 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.971 0.805 . . . . 64.13 112.138 -172.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 58.73 -13.73 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 127.955 2.502 . . . . 61.0 115.716 -171.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.4 mt -59.5 168.92 1.41 Allowed 'General case' 0 C--O 1.231 0.11 0 C-N-CA 125.271 1.428 . . . . 63.43 111.1 -177.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 12.8 m-20 -74.38 179.21 4.71 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.878 -0.415 . . . . 55.22 109.878 169.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -89.55 -14.07 35.94 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.692 0.997 . . . . 62.24 113.692 170.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.86 12.71 49.18 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 125.156 1.36 . . . . 53.12 114.153 174.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.502 ' HA ' HD23 ' A' ' 11' ' ' LEU . 31.4 p90 -142.45 161.93 36.77 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 127.554 2.341 . . . . 75.24 107.004 170.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -143.56 175.18 10.14 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.011 0.924 . . . . 75.43 108.513 177.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.55 ' HB3' HE22 ' A' ' 53' ' ' GLN . 48.4 m-85 -137.12 164.58 28.11 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.267 1.427 . . . . 73.21 108.204 -175.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.9 mt -137.96 125.76 30.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 128.37 2.668 . . . . 51.11 105.898 175.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.55 HE22 ' HB3' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -116.65 100.69 8.0 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 106.889 -1.523 . . . . 74.24 106.889 179.72 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 mt -118.24 -174.77 2.73 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.47 1.508 . . . . 75.24 109.699 -176.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.42 161.02 20.74 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.795 -0.566 . . . . 73.22 109.594 163.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.0 p -54.96 -61.29 2.4 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.143 0.577 . . . . 64.04 109.84 174.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.6 mm -53.82 -58.7 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 125.544 1.538 . . . . 75.05 110.536 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.1 -46.73 85.03 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 109.894 -0.41 . . . . 63.25 109.894 -170.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.24 -55.2 37.86 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 123.772 0.829 . . . . 73.25 110.295 178.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.88 -49.55 75.16 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.721 1.209 . . . . 55.11 110.341 -175.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -55.22 -56.2 22.67 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 125.837 1.655 . . . . 62.41 110.85 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.2 -41.87 89.57 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.565 0.746 . . . . 71.24 110.692 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.09 -36.72 80.43 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.675 -0.641 . . . . 63.02 110.201 -178.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.52 -42.07 95.68 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.431 0.56 . . . . 73.03 110.449 176.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 69.4 mt -59.22 -52.93 54.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 N-CA-C 108.213 -1.032 . . . . 73.45 108.213 177.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.405 ' HA ' HD11 ' A' ' 69' ' ' LEU . 49.3 mt -52.82 -22.75 5.77 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 125.143 1.377 . . . . 74.13 114.41 177.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -105.14 14.64 28.83 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.232 0.924 . . . . 73.33 112.389 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -127.01 -33.74 2.41 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.935 1.294 . . . . 60.25 113.83 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.511 ' H ' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -87.75 -166.71 1.66 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.421 2.288 . . . . 73.31 114.533 -170.749 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -67.34 152.99 95.6 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 125.473 1.509 . . . . 75.3 113.072 170.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -66.99 165.64 25.57 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 124.003 3.136 . . . . 63.12 113.432 -176.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -71.36 139.69 35.35 Favored 'Trans proline' 0 N--CA 1.449 -1.091 0 C-N-CA 121.912 1.741 . . . . 72.02 112.947 -176.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.96 123.9 21.88 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 125.655 1.582 . . . . 64.21 108.047 171.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.63 145.85 31.47 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 124.548 1.139 . . . . 61.24 109.8 175.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.504 HG12 ' HB3' ' A' ' 23' ' ' ALA . 0.3 OUTLIER -128.28 19.34 2.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 124.797 1.239 . . . . 75.02 109.649 -172.295 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -173.01 31.07 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.554 1.542 . . . . 55.23 110.7 172.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.18 15.67 65.71 Favored Glycine 0 CA--C 1.535 1.325 0 O-C-N 120.613 -1.304 . . . . 73.0 114.752 -173.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.415 ' HE3' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -111.24 105.35 14.0 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 126.305 1.842 . . . . 75.12 109.049 173.705 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 58.5 m -69.91 115.01 8.64 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 118.83 -1.148 . . . . 74.42 109.286 168.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.7 mm -63.68 158.26 3.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 126.135 1.774 . . . . 71.0 110.166 -178.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -110.76 161.05 16.17 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 126.269 1.828 . . . . 75.0 109.403 172.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.7 t -122.2 138.44 52.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 106.968 -1.493 . . . . 61.01 106.968 173.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -132.87 163.22 29.59 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 125.506 1.523 . . . . 62.14 109.199 167.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -123.19 110.51 15.34 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.777 -1.194 . . . . 72.31 107.777 -178.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -112.72 71.12 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 107.375 -1.343 . . . . 74.2 107.375 175.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.41 ' HE2' ' OD2' ' A' ' 4' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 107.897 -1.149 . . . . 63.03 107.897 167.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 N--CA 1.448 -0.536 0 CA-C-O 123.487 1.613 . . . . 74.02 109.656 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.492 ' HB ' ' HB3' ' A' ' 85' ' ' ALA . 57.9 m -115.46 150.68 36.08 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 112.724 -2.035 . . . . 71.35 106.31 -175.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.0 mt -112.81 133.98 56.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 104.31 -2.478 . . . . 61.21 104.31 166.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.2 mt -107.56 140.73 24.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 105.748 -1.945 . . . . 71.34 105.748 174.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -114.11 154.35 27.92 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.436 -0.95 . . . . 54.21 108.436 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -133.41 178.3 7.02 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.135 0.974 . . . . 72.1 110.3 172.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 40.6 t30 54.48 50.04 17.0 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 125.71 1.604 . . . . 75.14 111.187 175.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.5 mt -86.22 121.7 29.18 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 105.651 -1.981 . . . . 74.41 105.651 169.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -57.11 152.04 31.95 Favored Pre-proline 0 C--O 1.235 0.33 0 N-CA-C 109.158 -0.682 . . . . 73.13 109.158 169.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.37 -37.04 32.4 Favored 'Trans proline' 0 N--CA 1.446 -1.284 0 C-N-CA 121.784 1.656 . . . . 75.4 110.901 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -92.01 13.89 17.41 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.165 0.586 . . . . 73.02 112.024 -177.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.5 m -93.75 165.47 12.68 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 120.55 -1.343 . . . . 74.31 109.117 162.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 p -135.09 -178.12 4.95 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 125.811 1.645 . . . . 73.02 106.865 144.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 ptm -50.52 -34.17 24.31 Favored 'General case' 0 C--O 1.217 -0.616 0 C-N-CA 126.321 1.849 . . . . 53.22 111.11 167.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.05 -28.32 66.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 118.514 0.597 . . . . 70.22 111.685 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 m -111.15 24.17 13.21 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 123.848 0.859 . . . . 73.44 112.126 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 52.7 mt -132.32 -34.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.07 0 C-N-CA 123.968 0.907 . . . . 75.44 109.427 173.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.9 mt -51.81 -46.38 64.26 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 122.916 0.486 . . . . 73.4 109.911 169.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.96 14.96 5.52 Favored Glycine 0 CA--C 1.534 1.226 0 CA-C-O 118.384 -1.231 . . . . 62.2 115.367 -173.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -150.65 -40.49 0.13 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 119.952 1.876 . . . . 51.23 111.202 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.64 21.71 4.54 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.087 1.355 . . . . 75.02 111.375 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.54 53.67 0.71 Allowed Pre-proline 0 CA--C 1.547 0.828 0 CA-C-N 119.541 1.064 . . . . 74.01 112.388 171.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.428 ' HG2' ' CE1' ' A' ' 27' ' ' TYR . 80.5 Cg_endo -76.06 -14.43 18.91 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 122.95 2.434 . . . . 71.01 111.756 169.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.428 ' CE1' ' HG2' ' A' ' 26' ' ' PRO . 0.5 OUTLIER -124.41 -79.6 0.61 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.509 1.524 . . . . 63.04 107.337 -176.591 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.92 106.02 14.4 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 123.637 0.775 . . . . 72.32 109.676 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.1 t -87.0 86.5 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 105.94 -1.874 . . . . 74.42 105.94 169.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.4 mt -66.4 154.22 40.71 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.029 0.532 . . . . 72.24 109.857 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.63 23.45 0.42 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.099 1.36 . . . . 71.25 112.056 -173.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.7 t 55.29 -60.41 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.057 2.143 . . . . 73.22 112.802 -162.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.4 t -54.03 -24.54 17.41 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.287 2.235 . . . . 53.21 113.872 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -52.39 -31.26 33.16 Favored 'General case' 0 C--N 1.341 0.235 0 O-C-N 121.008 -1.057 . . . . 72.35 111.249 169.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.6 t -101.55 143.57 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 C-N-CA 124.973 1.309 . . . . 74.24 110.149 -164.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.66 94.28 3.82 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 126.167 1.787 . . . . 73.31 108.554 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.2 t -95.02 106.37 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 105.258 -2.127 . . . . 65.0 105.258 164.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.0 mt -76.69 152.05 5.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 107.355 -1.35 . . . . 75.04 107.355 172.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -129.13 143.98 51.05 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.828 0.851 . . . . 74.12 111.365 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -61.26 150.92 33.23 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.418 -0.355 . . . . 74.41 110.916 175.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -95.68 13.91 24.82 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.773 1.027 . . . . 72.41 113.773 176.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -124.08 -50.56 1.8 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 119.27 0.941 . . . . 73.4 109.149 -177.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.539 HG23 ' H ' ' A' ' 45' ' ' LEU . 15.3 t -92.38 -14.09 29.17 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.805 0.729 . . . . 55.53 110.783 178.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 71.74 -12.66 0.63 Allowed 'General case' 0 C--N 1.342 0.273 0 CA-C-O 116.731 -1.604 . . . . 74.41 114.269 -169.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.539 ' H ' HG23 ' A' ' 43' ' ' THR . 41.4 mt -62.64 174.45 1.01 Allowed 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 120.012 1.278 . . . . 74.21 110.642 -177.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -69.63 -165.73 0.09 Allowed 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 125.205 1.402 . . . . 75.13 109.977 170.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -108.12 -12.76 15.06 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.972 1.709 . . . . 62.41 112.389 168.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.93 14.17 58.19 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 123.808 0.718 . . . . 75.03 113.414 176.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -147.82 167.53 24.52 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 126.075 1.75 . . . . 74.12 106.709 169.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -149.3 178.25 8.93 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 123.92 0.888 . . . . 41.44 109.341 174.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -130.01 158.18 40.29 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.001 1.72 . . . . 74.22 107.542 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 58.3 mt -131.57 130.05 62.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 127.228 2.211 . . . . 75.33 105.417 170.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.17 124.93 52.45 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 106.393 -1.706 . . . . 71.02 106.393 172.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.03 -179.82 5.56 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 126.033 1.733 . . . . 74.03 108.616 179.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.46 151.05 13.94 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.715 -0.846 . . . . 61.34 108.715 160.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.3 m -44.87 -63.19 0.97 Allowed 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 126.388 1.875 . . . . 72.12 110.271 172.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 45.7 mt -65.48 -48.05 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 N-CA-C 108.864 -0.791 . . . . 74.01 108.864 -174.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -64.18 -42.48 96.67 Favored 'General case' 0 C--N 1.331 -0.197 0 O-C-N 121.825 -0.547 . . . . 71.42 111.688 -166.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.46 -53.22 24.21 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.168 0.987 . . . . 71.22 110.17 178.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.1 -45.78 91.97 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.921 0.889 . . . . 72.41 110.795 -178.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -59.13 -58.33 9.1 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 118.777 0.717 . . . . 73.02 110.627 -177.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.23 -45.07 92.11 Favored 'General case' 0 CA--C 1.518 -0.257 0 O-C-N 123.389 0.431 . . . . 51.41 110.196 -174.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.13 -46.25 65.3 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 119.709 -0.186 . . . . 74.04 111.291 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -62.41 -31.33 71.99 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 119.002 -0.523 . . . . 75.31 112.24 -176.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 68.6 mt -59.21 -59.24 4.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 C-N-CA 125.015 1.326 . . . . 73.34 108.358 179.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -48.87 -43.23 38.71 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.336 1.054 . . . . 64.12 110.745 173.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -78.3 18.26 0.56 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.07 1.348 . . . . 75.32 113.86 -177.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.4 -34.42 1.39 Allowed 'General case' 0 C--O 1.234 0.281 0 C-N-CA 124.094 0.958 . . . . 63.35 112.515 168.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 pp -75.84 -166.77 0.61 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.245 1.018 . . . . 75.02 111.541 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -53.99 165.15 0.82 Allowed Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 124.717 1.207 . . . . 74.02 112.875 173.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -65.6 167.54 16.9 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 122.716 2.277 . . . . 55.25 112.182 171.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -66.04 147.01 83.88 Favored 'Trans proline' 0 N--CA 1.455 -0.752 0 C-N-CA 122.696 2.264 . . . . 74.22 112.333 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.91 125.47 29.4 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 127.473 2.309 . . . . 64.01 109.058 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.7 t -84.65 154.96 22.21 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.494 1.117 . . . . 72.23 109.419 177.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.44 13.98 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 C-N-CA 124.408 1.083 . . . . 62.21 111.621 -173.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.7 18.58 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.614 1.566 . . . . 71.41 109.811 177.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.8 30.31 63.93 Favored Glycine 0 C--N 1.344 1.02 0 C-N-CA 124.636 1.113 . . . . 75.34 113.677 -173.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.92 98.33 5.3 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 126.807 2.043 . . . . 75.1 109.117 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 m -69.78 117.87 11.93 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 107.553 -1.277 . . . . 74.4 107.553 175.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 30.1 mm -61.01 153.98 4.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 123.988 0.915 . . . . 74.33 108.766 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.01 159.88 18.68 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.036 0.935 . . . . 62.02 109.067 166.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.6 t -133.47 137.42 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 125.431 1.492 . . . . 75.15 108.205 -176.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -125.75 149.98 48.1 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.599 -0.889 . . . . 75.01 108.599 158.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -77.37 150.06 35.15 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 105.907 -1.886 . . . . 75.13 105.907 153.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.492 ' HB3' ' HB ' ' A' ' 5' ' ' THR . . . -133.16 74.57 1.57 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 106.759 -1.571 . . . . 74.44 106.759 170.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.4 tptm . . . . . 0 N--CA 1.443 -0.822 0 CA-C-N 113.645 -1.616 . . . . 75.04 107.301 175.316 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 N--CA 1.448 -0.532 0 CA-C-O 122.638 1.209 . . . . 73.14 110.833 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.8 m -146.13 128.66 16.03 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 125.186 1.395 . . . . 62.3 107.945 172.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 55.3 mt -88.6 124.5 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 104.897 -2.26 . . . . 74.0 104.897 167.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.3 mt -92.37 145.55 7.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 106.942 -1.503 . . . . 64.22 106.942 172.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.0 mt -111.93 156.45 22.06 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 108.546 -0.909 . . . . 73.0 108.546 163.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.433 ' HB2' ' HB2' ' A' ' 81' ' ' ASN . 15.4 mtp180 -144.04 168.92 18.85 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 127.094 2.157 . . . . 63.01 108.634 -175.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.6 t30 59.24 30.95 20.79 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.806 1.242 . . . . 54.55 111.652 -176.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.49 HD23 ' HA ' ' A' ' 49' ' ' PHE . 0.8 OUTLIER -69.75 119.52 14.1 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 105.613 -1.995 . . . . 74.33 105.613 167.691 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -68.51 154.22 94.7 Favored Pre-proline 0 C--O 1.234 0.244 0 N-CA-C 106.994 -1.484 . . . . 62.14 106.994 170.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -74.71 -14.93 21.77 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 122.627 2.218 . . . . 74.25 112.953 -172.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -78.26 -22.14 48.78 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.208 0.603 . . . . 73.32 111.766 -176.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.5 m -82.59 168.81 16.97 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.941 -0.763 . . . . 72.21 108.941 165.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.491 HG23 ' H ' ' A' ' 17' ' ' MET . 7.2 t -125.64 -74.17 0.61 Allowed 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 106.128 -1.804 . . . . 64.32 106.128 173.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.491 ' H ' HG23 ' A' ' 16' ' ' THR . 9.8 ptt? -153.8 -48.0 0.09 Allowed 'General case' 0 CA--C 1.512 -0.518 0 C-N-CA 124.098 0.959 . . . . 74.32 109.323 178.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.97 -28.41 68.98 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.827 0.851 . . . . 54.31 112.292 -177.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 m -59.68 -35.5 74.59 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.55 1.14 . . . . 63.34 111.326 174.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.2 mp -93.4 -35.44 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.03 1.332 . . . . 73.31 108.718 -176.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.426 HD21 HG21 ' A' ' 35' ' ' VAL . 61.1 mt -59.44 -36.84 76.68 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-O 118.523 -0.751 . . . . 71.15 111.039 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.57 14.94 64.16 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-O 117.481 -1.733 . . . . 72.42 113.927 -178.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.16 -34.2 0.43 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.44 1.62 . . . . 74.12 113.758 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 tp -93.95 14.74 18.71 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.221 1.408 . . . . 72.24 111.254 -176.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.71 53.47 0.93 Allowed Pre-proline 0 CA--C 1.544 0.728 0 N-CA-C 114.752 1.39 . . . . 73.52 114.752 -170.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -70.41 -24.49 26.65 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 121.908 1.738 . . . . 65.03 112.909 169.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -124.9 -24.48 4.08 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 120.262 1.392 . . . . 70.44 113.784 -174.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.83 108.28 5.56 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 108.24 -1.022 . . . . 65.24 108.24 170.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.1 t -80.05 120.84 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 N-CA-C 106.283 -1.747 . . . . 64.31 106.283 160.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -97.2 -178.73 4.28 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.07 0.948 . . . . 65.42 111.03 169.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.0 m -110.47 160.35 16.68 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.39 1.476 . . . . 70.53 109.624 163.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.1 p -62.94 -24.66 67.97 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 121.179 -0.95 . . . . 73.43 111.614 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.5 p -56.02 -46.1 78.92 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.829 0.851 . . . . 71.53 110.964 170.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -83.89 -26.26 29.55 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 125.031 1.333 . . . . 65.34 109.768 -170.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.426 HG21 HD21 ' A' ' 21' ' ' LEU . 45.4 t -91.47 87.89 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 C-N-CA 124.6 1.16 . . . . 63.21 109.532 172.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.72 115.39 4.72 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.007 -0.997 . . . . 50.42 108.32 169.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.472 HG21 ' HB3' ' A' ' 17' ' ' MET . 46.6 t -117.04 131.66 69.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 125.196 1.398 . . . . 64.11 108.679 162.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.0 mt -87.9 130.24 37.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 105.429 -2.063 . . . . 44.34 105.429 163.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.42 147.46 35.19 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 108.45 -0.944 . . . . 72.34 108.45 168.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -65.74 161.06 21.58 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.465 1.106 . . . . 73.13 110.576 171.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.9 ttmt -115.02 14.68 17.19 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 120.422 -1.423 . . . . 72.42 113.025 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -130.35 -42.29 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 126.359 1.864 . . . . 63.0 110.198 -172.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.587 HG23 ' H ' ' A' ' 45' ' ' LEU . 14.5 t -102.39 -14.4 16.91 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.489 1.115 . . . . 71.34 109.288 173.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 73.11 -13.73 0.67 Allowed 'General case' 0 C--O 1.234 0.271 0 C-N-CA 127.187 2.195 . . . . 73.55 114.178 -170.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.587 ' H ' HG23 ' A' ' 43' ' ' THR . 30.8 mt -60.36 178.07 0.23 Allowed 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.181 1.355 . . . . 74.52 113.276 -170.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -95.0 164.73 12.77 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 120.349 -1.469 . . . . 73.43 109.192 169.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -78.55 -14.04 59.54 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.04 1.126 . . . . 74.11 114.04 -173.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.77 14.14 25.9 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 125.969 1.747 . . . . 73.03 113.832 -178.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.49 ' HA ' HD23 ' A' ' 11' ' ' LEU . 28.5 p90 -151.74 172.79 15.57 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 121.091 -1.24 . . . . 73.31 109.215 178.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -153.11 168.67 25.15 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.333 1.453 . . . . 73.02 108.693 170.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -131.2 120.24 22.99 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 124.846 1.259 . . . . 71.4 107.96 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.0 mt -91.97 118.11 36.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 126.853 2.061 . . . . 62.12 107.085 174.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.31 129.79 42.32 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.466 1.507 . . . . 65.32 107.195 173.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.9 mt -135.89 -154.86 0.59 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.025 1.73 . . . . 63.24 108.213 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 t -98.08 163.85 12.58 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.082 1.353 . . . . 71.3 108.544 173.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 58.3 p -61.74 -14.94 36.74 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.264 1.826 . . . . 74.24 115.22 -172.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.3 mt -118.02 -43.67 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 125.713 1.605 . . . . 74.43 108.5 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -56.62 -47.64 79.22 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 124.391 1.076 . . . . 74.21 110.09 -175.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.72 -53.05 43.66 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.463 0.574 . . . . 71.13 110.668 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.34 -51.44 68.81 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.109 0.963 . . . . 71.22 111.112 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -61.51 -49.83 75.17 Favored 'General case' 0 C--O 1.231 0.106 0 O-C-N 121.563 -0.711 . . . . 74.04 111.056 -175.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -44.47 96.21 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.49 1.116 . . . . 73.12 109.814 -177.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.9 tp -52.73 -46.52 67.46 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 109.989 -0.374 . . . . 73.21 109.989 178.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -62.62 -27.87 69.51 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 113.578 0.955 . . . . 61.4 113.578 -176.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 63.9 mt -61.51 -62.15 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 107.486 -1.301 . . . . 54.21 107.486 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -57.24 -30.34 64.54 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 118.759 0.709 . . . . 65.33 112.696 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -75.9 -25.99 56.58 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 121.682 -0.637 . . . . 72.14 112.397 176.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.19 -29.58 28.44 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 112.618 0.599 . . . . 73.03 112.618 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 pp -93.13 -163.43 1.05 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.039 1.336 . . . . 62.41 110.95 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -57.51 159.11 9.67 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 123.787 0.835 . . . . 73.22 111.586 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -63.34 167.49 12.82 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.414 2.743 . . . . 70.03 112.556 176.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -62.9 158.49 42.7 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.573 2.848 . . . . 73.42 111.966 -178.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.09 179.95 4.71 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 123.103 1.43 . . . . 74.44 111.707 175.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.58 152.72 50.56 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 126.833 2.053 . . . . 70.23 106.44 171.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -133.05 14.52 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 124.754 1.222 . . . . 44.22 110.327 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -173.94 28.0 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.918 0 O-C-N 120.927 -1.108 . . . . 65.34 111.16 -175.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.43 21.21 77.44 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-O 118.016 -1.435 . . . . 44.41 114.051 -173.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.493 ' HD3' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -116.86 109.86 17.62 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 120.468 2.134 . . . . 64.22 108.619 174.544 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 m -66.91 115.03 6.21 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 121.044 1.747 . . . . 72.04 107.53 170.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.3 mm -56.07 142.78 10.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 108.392 -0.966 . . . . 74.35 108.392 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.433 ' HB2' ' HB2' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -96.17 152.28 18.7 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 106.47 -1.678 . . . . 43.14 106.47 166.825 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.9 t -123.65 144.2 34.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 106.661 -1.607 . . . . 71.34 106.661 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -141.57 167.65 21.66 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 125.613 1.565 . . . . 64.22 108.996 173.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -126.85 95.34 4.29 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 124.734 1.214 . . . . 72.03 110.071 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.88 79.5 6.4 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 122.481 1.134 . . . . 42.14 108.437 169.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.5 tptm . . . . . 0 N--CA 1.445 -0.681 0 C-N-CA 124.594 1.158 . . . . 74.22 108.445 172.531 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 N--CA 1.448 -0.551 0 CA-C-O 123.481 1.61 . . . . 63.0 112.279 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.1 m -144.72 143.07 30.52 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 106.201 -1.778 . . . . 74.14 106.201 170.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.4 mt -115.24 121.19 66.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 N-CA-C 103.787 -2.672 . . . . 61.03 103.787 174.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.498 ' HB ' ' HG3' ' A' ' 83' ' ' GLU . 26.2 mt -98.32 147.11 7.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 N-CA-C 105.642 -1.984 . . . . 63.35 105.642 177.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.403 ' HB3' HD21 ' A' ' 11' ' ' LEU . 10.9 mp -112.77 150.31 31.78 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 125.061 1.344 . . . . 60.42 107.379 173.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -134.14 170.28 15.91 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.377 1.071 . . . . 75.24 109.161 -177.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.7 t30 67.3 17.22 10.21 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 126.287 1.835 . . . . 70.14 112.17 178.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.572 HD23 ' HA ' ' A' ' 49' ' ' PHE . 0.6 OUTLIER -64.45 133.4 52.42 Favored 'General case' 0 N--CA 1.446 -0.652 0 O-C-N 119.727 -1.858 . . . . 74.43 106.95 171.707 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -69.16 157.37 89.47 Favored Pre-proline 0 N--CA 1.443 -0.816 0 C-N-CA 124.567 1.147 . . . . 75.11 109.235 169.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -59.78 -35.37 94.53 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.87 2.38 . . . . 75.11 111.239 176.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -77.03 -14.11 59.87 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.535 1.134 . . . . 65.31 113.346 -178.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.93 158.31 4.97 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 119.923 1.238 . . . . 74.22 109.698 -178.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.0 t -144.55 154.76 43.2 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 106.777 -1.564 . . . . 71.41 106.777 167.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.4 ptp -65.71 -29.23 69.74 Favored 'General case' 0 C--O 1.211 -0.933 0 C-N-CA 124.162 0.985 . . . . 73.55 109.451 -172.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -70.48 -33.2 70.97 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.583 0.706 . . . . 74.24 109.99 -178.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.8 t -78.78 -47.97 15.71 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.225 1.41 . . . . 43.32 108.66 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mt -55.15 -45.85 77.4 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 N-CA-C 109.166 -0.679 . . . . 62.13 109.166 171.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.2 mt -61.45 -20.35 63.03 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.189 0.904 . . . . 74.52 112.888 177.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.57 -15.07 57.5 Favored Glycine 0 CA--C 1.527 0.798 0 CA-C-N 119.195 0.907 . . . . 73.43 113.968 -178.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -142.6 12.98 1.93 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 119.143 1.471 . . . . 71.11 113.716 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.4 tp -129.11 29.26 5.19 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.763 1.225 . . . . 74.41 109.187 170.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.509 ' HB1' HG22 ' A' ' 29' ' ' VAL . . . -114.95 52.66 0.71 Allowed Pre-proline 0 CA--C 1.557 1.226 0 C-N-CA 124.421 1.088 . . . . 43.15 113.035 176.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.444 ' HG2' ' CE2' ' A' ' 27' ' ' TYR . 53.1 Cg_endo -77.7 -21.51 11.21 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.953 2.435 . . . . 74.25 114.563 173.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.444 ' CE2' ' HG2' ' A' ' 26' ' ' PRO . 1.7 m-85 -134.59 -58.12 0.83 Allowed 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.928 1.24 . . . . 74.03 109.685 -174.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.86 149.96 27.62 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.011 0.924 . . . . 60.04 109.453 176.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.509 HG22 ' HB1' ' A' ' 25' ' ' ALA . 3.2 t -144.2 101.68 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 106.461 -1.681 . . . . 75.25 106.461 -173.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -72.74 163.4 28.16 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 112.429 0.529 . . . . 71.23 112.429 -172.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.9 m -90.18 33.0 0.89 Allowed 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.363 1.465 . . . . 72.54 112.511 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.61 -61.95 0.39 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.851 1.66 . . . . 71.13 112.215 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 t -56.6 -34.71 67.48 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.628 1.558 . . . . 73.22 112.037 -177.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -52.92 -24.56 9.52 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.337 1.055 . . . . 71.44 112.908 177.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.6 t -98.9 133.54 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-O 122.035 0.921 . . . . 75.53 109.138 -173.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.09 86.89 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 126.577 1.951 . . . . 61.52 107.386 173.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.1 t -85.28 102.4 11.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 N-CA-C 104.852 -2.277 . . . . 73.22 104.852 161.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.4 mt -75.39 131.02 35.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 105.85 -1.907 . . . . 74.12 105.85 169.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -119.67 160.41 22.57 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.092 1.357 . . . . 75.45 110.457 169.788 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -79.02 158.53 27.89 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 112.039 0.385 . . . . 71.35 112.039 -169.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -30.53 65.41 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 114.764 1.394 . . . . 75.34 114.764 176.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -102.01 -52.72 3.1 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 108.489 -0.93 . . . . 71.43 108.489 -176.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.9 p -78.97 -17.97 54.51 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 120.618 -0.433 . . . . 61.42 111.1 -168.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 57.32 14.77 2.29 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.298 1.839 . . . . 75.42 112.579 -167.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.9 mt -96.67 150.05 21.11 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 123.467 0.707 . . . . 64.45 109.115 -177.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 5.7 m-20 -62.19 163.28 8.41 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 123.148 0.579 . . . . 62.33 110.923 -177.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -84.73 14.51 4.64 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.017 -1.052 . . . . 62.35 112.59 171.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.36 12.74 64.03 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 126.277 1.894 . . . . 55.14 115.956 173.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.572 ' HA ' HD23 ' A' ' 11' ' ' LEU . 8.0 p90 -141.84 163.0 34.08 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 126.117 1.767 . . . . 61.22 107.363 163.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -145.06 165.81 27.16 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.069 -1.086 . . . . 60.34 108.069 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -132.14 129.68 40.16 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.714 -1.587 . . . . 74.42 106.714 -170.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.3 mt -97.72 131.41 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 106.038 -1.838 . . . . 71.34 106.038 171.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -108.68 99.86 9.17 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 105.033 -2.21 . . . . 74.51 105.033 174.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.6 mt -120.07 171.66 8.3 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 124.313 1.045 . . . . 75.43 108.566 173.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 m -72.07 166.67 21.81 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 127.076 2.151 . . . . 63.03 111.727 -172.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.3 m -61.95 -32.98 73.45 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.968 0.907 . . . . 51.43 111.659 -174.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 58.9 mt -82.09 -53.94 10.82 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.156 0 O-C-N 121.532 -0.73 . . . . 75.34 109.127 170.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -65.18 -45.3 85.4 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 122.591 0.357 . . . . 71.13 111.288 -160.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.5 -48.7 79.88 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.385 -0.598 . . . . 75.44 109.385 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.72 -53.39 58.32 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.673 0.789 . . . . 73.42 111.139 179.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -58.98 -58.68 7.6 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 123.577 0.751 . . . . 51.3 109.899 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -52.01 -53.39 42.33 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.995 0.918 . . . . 71.23 109.15 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.468 HD21 HE21 ' A' ' 67' ' ' GLN . 1.2 tm? -51.81 -51.34 57.21 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 118.429 0.559 . . . . 75.24 110.176 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -61.09 -37.24 82.02 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 120.135 -0.626 . . . . 72.43 109.703 -171.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 57.6 mt -55.4 -53.68 33.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.76 1.224 . . . . 65.03 109.62 173.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -58.42 -26.95 63.84 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.653 1.115 . . . . 71.41 112.728 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.468 HE21 HD21 ' A' ' 63' ' ' LEU . 50.0 mm-40 -85.46 13.1 7.18 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.099 0.96 . . . . 61.13 112.612 -175.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -141.65 14.5 2.14 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.339 0.656 . . . . 71.01 112.246 -174.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 pp -142.99 -178.6 5.91 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.659 1.184 . . . . 65.01 112.274 -167.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -64.21 145.28 98.21 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 126.289 1.836 . . . . 71.31 112.877 -175.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -67.67 162.94 37.1 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 122.88 2.387 . . . . 61.04 113.443 -167.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -68.16 151.66 76.85 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.718 2.278 . . . . 72.53 112.027 -173.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -87.95 134.48 33.71 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.672 1.989 . . . . 70.11 107.239 175.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.8 t -83.9 161.33 20.89 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.069 -1.019 . . . . 65.14 110.856 -176.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -132.49 13.56 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 123.851 0.86 . . . . 73.31 110.949 -179.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -171.68 41.07 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 107.443 -1.317 . . . . 72.23 107.443 171.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.66 -13.72 1.6 Allowed Glycine 0 CA--C 1.534 1.272 0 O-C-N 120.269 -1.519 . . . . 71.45 115.058 -177.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.54 108.35 17.26 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 119.841 1.821 . . . . 72.54 111.28 178.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.93 128.64 37.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 121.009 1.732 . . . . 45.03 109.845 177.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.4 mm -66.83 165.2 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 124.119 0.968 . . . . 74.11 109.387 -177.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -130.06 158.18 40.32 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 126.078 1.751 . . . . 65.13 108.251 170.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.2 t -124.36 151.97 29.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 125.787 1.635 . . . . 54.32 108.026 -175.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.498 ' HG3' ' HB ' ' A' ' 7' ' ' ILE . 1.5 pt-20 -151.68 175.35 12.47 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.573 1.949 . . . . 74.04 110.571 168.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -134.21 89.05 2.52 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 125.847 1.659 . . . . 63.23 107.114 -173.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.61 64.32 8.45 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 107.471 -1.307 . . . . 62.23 107.471 174.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.209 0 N-CA-C 106.484 -1.673 . . . . 75.01 106.484 177.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.509 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.452 0 N-CA-C 107.792 -1.188 . . . . 62.21 107.792 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.4 m -133.03 140.63 47.83 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 125.791 1.637 . . . . 63.21 107.15 172.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 55.5 mt -104.96 136.94 36.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 N-CA-C 105.237 -2.134 . . . . 75.23 105.237 163.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.6 mp -110.63 157.53 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 106.855 -1.535 . . . . 73.32 106.855 168.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.475 HD23 HG21 ' A' ' 80' ' ' ILE . 5.1 mp -126.84 153.01 46.22 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.01 1.324 . . . . 73.53 107.512 176.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -132.3 163.96 27.5 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.375 -0.602 . . . . 62.12 109.375 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 62.6 t30 67.1 42.33 2.38 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.262 1.425 . . . . 72.31 111.911 177.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.75 112.04 18.55 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 106.978 -1.489 . . . . 64.12 106.978 174.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.447 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 1.6 m-20 -53.17 153.41 6.67 Favored Pre-proline 0 N--CA 1.471 0.586 0 N-CA-C 108.998 -0.741 . . . . 75.35 108.998 174.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -58.08 -38.12 92.94 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.843 2.362 . . . . 73.41 110.929 175.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -62.0 -13.7 28.23 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.845 2.058 . . . . 74.15 115.51 175.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.0 m -84.14 166.33 17.71 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 120.205 1.366 . . . . 60.34 110.326 176.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.512 HG23 ' H ' ' A' ' 17' ' ' MET . 10.2 t -147.29 -74.69 0.2 Allowed 'General case' 0 C--O 1.233 0.19 0 O-C-N 121.507 -0.746 . . . . 73.52 109.101 173.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.512 ' H ' HG23 ' A' ' 16' ' ' THR . 53.4 ttp -160.67 -57.22 0.05 Allowed 'General case' 0 CA--C 1.508 -0.666 0 C-N-CA 126.181 1.793 . . . . 72.33 108.596 178.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -56.59 -35.92 68.79 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.541 -0.754 . . . . 42.44 110.398 -176.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.3 m -83.18 23.19 0.9 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 123.229 1.49 . . . . 65.53 114.801 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 54.9 mt -135.11 -47.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 C-N-CA 128.336 2.654 . . . . 70.25 106.967 177.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.5 mt -65.72 -15.64 63.01 Favored 'General case' 0 C--O 1.226 -0.163 0 N-CA-C 114.628 1.344 . . . . 71.35 114.628 -174.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -88.08 -13.94 63.34 Favored Glycine 0 CA--C 1.531 1.034 0 CA-C-O 119.0 -0.889 . . . . 63.44 113.68 171.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.44 ' HB3' HG12 ' A' ' 75' ' ' ILE . . . -134.47 -16.17 2.1 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 114.732 1.382 . . . . 61.11 114.732 -161.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.5 tp -113.21 22.47 14.26 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.566 1.946 . . . . 74.51 109.33 174.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -123.61 55.18 8.24 Favored Pre-proline 0 CA--C 1.543 0.675 0 C-N-CA 125.764 1.626 . . . . 71.14 111.99 -174.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -69.15 -48.54 0.82 Allowed 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 121.997 1.798 . . . . 64.33 110.825 170.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -104.43 -24.23 13.08 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.963 1.705 . . . . 61.42 113.607 -177.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -137.3 102.07 4.7 Favored 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 123.295 0.638 . . . . 45.13 110.635 -178.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.1 t -69.9 129.12 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 N-CA-C 105.582 -2.007 . . . . 64.53 105.582 151.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.7 mt -98.4 161.31 13.75 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.672 -1.233 . . . . 74.24 107.672 165.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.3 m -72.01 -69.38 0.4 Allowed 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 108.547 -0.908 . . . . 60.44 108.547 -172.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.4 m 174.92 -46.59 0.01 OUTLIER 'General case' 0 C--O 1.227 -0.103 0 C-N-CA 130.042 3.337 . . . . 62.35 107.187 168.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.5 p -61.64 -24.24 66.59 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.886 0.767 . . . . 75.32 112.449 -177.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -53.02 -34.29 55.69 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 125.486 1.514 . . . . 71.51 112.321 171.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.4 t -97.4 109.47 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 123.68 0.792 . . . . 72.51 108.946 -166.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.57 123.65 38.13 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 107.934 -1.136 . . . . 73.15 107.934 170.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.416 HG22 ' HB1' ' A' ' 50' ' ' ALA . 10.6 t -128.43 111.42 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 106.447 -1.686 . . . . 72.13 106.447 169.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.3 mt -64.41 116.1 3.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 106.264 -1.754 . . . . 73.23 106.264 174.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.82 147.64 26.63 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.9 -1.148 . . . . 71.53 107.9 170.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.65 164.75 9.2 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.605 0.595 . . . . 74.25 112.605 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -79.68 -52.29 8.14 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 121.4 -0.813 . . . . 64.44 110.828 170.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.81 -50.43 7.14 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 109.252 -0.647 . . . . 73.55 109.252 -175.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.7 p -81.46 -16.7 51.18 Favored 'General case' 0 C--N 1.334 -0.079 0 C-N-CA 119.444 -0.902 . . . . 61.53 110.995 -166.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 66.04 14.63 9.71 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 127.307 2.243 . . . . 62.35 113.375 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.9 mt -111.65 158.27 19.46 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 120.083 1.31 . . . . 64.13 111.439 -172.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -60.67 156.9 15.7 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.585 0.754 . . . . 71.52 109.675 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -82.3 16.04 2.19 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.977 0.732 . . . . 63.33 112.977 173.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.93 13.08 82.84 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 125.445 1.498 . . . . 55.13 114.799 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -147.55 162.27 39.42 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 125.438 1.495 . . . . 72.11 108.551 171.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.416 ' HB1' HG22 ' A' ' 37' ' ' VAL . . . -148.92 171.3 16.55 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 126.059 1.744 . . . . 74.43 109.176 -175.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -141.59 153.98 45.14 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.317 1.447 . . . . 74.25 108.809 -172.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.9 mt -130.52 130.39 64.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 C-N-CA 127.716 2.407 . . . . 75.31 108.566 175.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.76 121.63 45.66 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 126.373 1.869 . . . . 72.25 107.37 177.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.725 ' HB2' ' HB2' ' A' ' 59' ' ' ALA . 22.1 mt -137.81 179.39 6.46 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 126.548 1.939 . . . . 71.35 108.994 -177.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.5 t -65.87 165.88 12.2 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.716 0.807 . . . . 61.33 110.435 170.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 59.9 m -54.35 -24.62 20.16 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 131.458 3.903 . . . . 64.32 116.167 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.4 mm -119.33 -31.52 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 124.424 1.09 . . . . 75.03 109.911 -173.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -66.53 -49.9 64.96 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 125.026 1.331 . . . . 52.25 110.686 -174.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.725 ' HB2' ' HB2' ' A' ' 54' ' ' LEU . . . -59.32 -45.75 90.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.575 -0.726 . . . . 75.54 109.242 -179.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.78 -64.86 0.73 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.784 0.834 . . . . 74.02 110.484 174.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -51.34 -53.45 36.0 Favored 'General case' 0 N--CA 1.461 0.1 0 CA-C-N 118.76 0.709 . . . . 72.44 111.01 -175.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.62 -41.57 83.75 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.997 0.362 . . . . 72.44 110.914 -175.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -53.74 -48.12 69.97 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 121.489 -0.757 . . . . 75.22 109.372 174.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -59.89 -38.54 82.55 Favored 'General case' 0 N--CA 1.445 -0.689 0 O-C-N 123.95 0.781 . . . . 64.02 108.98 -170.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . 0.28 73.6 mt -47.63 -67.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.127 0 C-N-CA 126.291 1.836 . . . . 74.13 110.383 173.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -58.88 -20.63 53.09 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.761 1.164 . . . . 74.03 113.654 -177.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -95.12 -14.73 23.92 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.311 -0.868 . . . . 61.15 112.085 -178.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -115.8 14.55 16.32 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.848 1.259 . . . . 72.15 111.631 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.2 pp -135.24 138.66 43.77 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 107.926 -1.138 . . . . 63.41 107.926 164.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . 0.27 0.6 OUTLIER 49.75 166.93 0.03 OUTLIER Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 127.494 2.317 . . . . 70.45 116.499 160.361 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -73.01 155.32 52.83 Favored 'Trans proline' 0 N--CA 1.448 -1.174 0 O-C-N 118.718 -1.254 . . . . 71.24 109.442 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -61.51 149.31 90.24 Favored 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 122.367 2.045 . . . . 71.05 111.457 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.79 HD13 ' H ' ' A' ' 74' ' ' THR . 0.4 OUTLIER -94.36 174.46 7.12 Favored 'General case' 0 C--O 1.238 0.5 0 C-N-CA 125.197 1.399 . . . . 72.33 108.032 -171.509 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.79 ' H ' HD13 ' A' ' 73' ' ' LEU . 8.2 t -148.13 156.66 42.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.162 -0.961 . . . . 71.22 109.24 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.44 HG12 ' HB3' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -131.79 14.49 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 124.025 0.93 . . . . 73.45 110.128 177.183 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -166.82 31.21 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.332 -0.855 . . . . 74.45 111.848 177.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.56 13.49 31.11 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 126.028 1.775 . . . . 64.15 114.935 -170.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.447 ' HE3' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -101.37 107.04 18.27 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 125.398 1.479 . . . . 71.23 108.724 168.828 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.4 112.69 4.17 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 108.293 -1.003 . . . . 72.13 108.293 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.475 HG21 HD23 ' A' ' 8' ' ' LEU . 28.0 mm -76.5 121.85 29.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 N-CA-C 107.413 -1.329 . . . . 72.54 107.413 -173.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -76.81 157.96 31.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.313 -0.858 . . . . 74.12 108.844 172.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.6 t -140.49 134.34 34.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 106.841 -1.54 . . . . 60.05 106.841 -175.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -132.71 167.0 20.9 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 127.237 2.215 . . . . 72.13 109.446 -173.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -136.67 80.72 1.83 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.982 0.913 . . . . 61.01 109.59 -168.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.36 86.11 7.4 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 122.713 1.244 . . . . 55.34 108.607 174.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.7 tptm . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 107.929 -1.138 . . . . 53.15 107.929 168.594 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 107.757 -1.201 . . . . 71.31 107.757 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 51.6 m -126.95 124.14 38.78 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.998 1.319 . . . . 63.32 108.27 -170.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.2 mt -95.42 122.79 47.21 Favored 'Isoleucine or valine' 0 C--N 1.34 0.154 0 N-CA-C 106.922 -1.51 . . . . 74.32 106.922 175.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.7 mp -99.43 140.49 18.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 107.931 -1.137 . . . . 72.55 107.931 173.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.9 mt -103.98 160.29 14.94 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 124.456 1.102 . . . . 74.52 109.056 171.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.457 ' HB2' ' HB2' ' A' ' 81' ' ' ASN . 13.3 mtp180 -140.74 175.4 9.64 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.049 1.74 . . . . 73.52 108.409 -176.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.3 t30 49.62 42.0 22.48 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 122.881 1.324 . . . . 74.3 111.181 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.573 HD23 HD12 ' A' ' 80' ' ' ILE . 40.7 mt -84.19 121.84 28.03 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 104.564 -2.384 . . . . 71.34 104.564 170.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.659 ' H ' ' HE2' ' A' ' 78' ' ' LYS . 1.3 m-20 -69.98 152.45 95.89 Favored Pre-proline 0 CA--C 1.519 -0.235 0 N-CA-C 108.194 -1.039 . . . . 54.21 108.194 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.508 ' HB2' HD22 ' A' ' 45' ' ' LEU . 57.5 Cg_endo -63.1 -32.12 75.26 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 123.383 2.722 . . . . 75.5 111.644 178.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 -69.63 -12.96 62.06 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.454 1.902 . . . . 65.51 113.675 174.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.2 m -80.75 153.88 27.54 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 122.584 1.183 . . . . 32.21 110.919 170.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.8 t -121.34 168.63 11.44 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 128.851 2.86 . . . . 53.21 104.634 166.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.0 ttp -46.1 -52.9 11.26 Favored 'General case' 0 C--O 1.211 -0.934 0 C-N-CA 125.608 1.563 . . . . 72.31 107.508 169.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -64.3 -16.06 61.42 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.43 1.27 . . . . 74.3 114.43 -172.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.95 -56.29 4.8 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.717 0.77 . . . . 63.34 109.4 168.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.2 mt -72.08 -52.7 23.15 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.216 0 N-CA-C 108.471 -0.937 . . . . 73.22 108.471 -170.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.6 tp -62.28 -20.87 64.73 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 124.026 0.93 . . . . 62.01 112.704 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -99.01 14.02 61.68 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 117.685 -1.62 . . . . 63.23 114.641 176.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -149.28 -34.98 0.18 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 120.133 1.966 . . . . 63.01 113.09 178.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.8 tp -78.24 18.25 0.55 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.998 1.319 . . . . 61.23 110.691 176.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.87 57.06 1.7 Allowed Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 125.436 1.494 . . . . 51.11 112.215 -178.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.92 -34.67 6.31 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 121.779 1.652 . . . . 71.14 112.356 170.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -124.92 -23.83 4.2 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.829 0.851 . . . . 73.04 112.769 -172.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.5 ' CB ' HD21 ' A' ' 62' ' ' LEU . . . -133.29 110.86 10.37 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.551 0.74 . . . . 74.42 109.933 168.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.0 t -83.72 122.77 38.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 N-CA-C 106.052 -1.833 . . . . 73.03 106.052 158.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -95.42 166.05 12.06 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.3 1.04 . . . . 75.32 109.481 165.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.4 t -81.96 161.61 22.99 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.697 0.761 . . . . 72.44 110.525 163.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -56.19 -41.09 75.01 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.527 1.531 . . . . 72.13 111.815 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 t -62.94 -34.51 77.63 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.046 -1.034 . . . . 62.41 110.815 -176.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -72.52 -14.63 61.69 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.957 1.703 . . . . 75.01 111.016 -178.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.9 t -122.63 88.66 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.308 0 C-N-CA 125.277 1.431 . . . . 75.1 110.33 -171.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.07 100.71 5.79 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 121.204 -0.935 . . . . 74.02 109.565 -178.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.8 t -91.65 108.39 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 125.134 1.374 . . . . 54.34 107.939 169.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.5 mt -69.53 141.16 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 108.028 -1.101 . . . . 63.51 108.028 170.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.38 142.23 51.19 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 124.181 0.992 . . . . 73.51 109.656 167.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.49 164.91 24.33 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 118.657 0.662 . . . . 75.14 111.621 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -83.56 -59.88 2.3 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.195 -0.669 . . . . 71.3 109.195 177.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.86 -53.47 53.63 Favored 'General case' 0 C--O 1.233 0.184 0 O-C-N 123.711 0.632 . . . . 75.12 109.298 -168.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.3 p -78.5 -22.13 47.88 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.711 0.404 . . . . 71.24 110.765 -174.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 66.14 -13.3 0.16 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.709 1.604 . . . . 73.43 113.458 -169.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.508 HD22 ' HB2' ' A' ' 13' ' ' PRO . 51.7 mt -65.11 -167.53 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 129.508 3.123 . . . . 72.43 111.107 176.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -105.22 168.82 8.82 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.822 1.249 . . . . 61.2 112.33 175.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.7 -13.65 41.94 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.766 1.626 . . . . 64.4 112.096 177.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.17 13.33 56.3 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 124.387 0.994 . . . . 63.22 114.251 169.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -142.41 161.07 39.0 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 125.505 1.522 . . . . 71.31 107.727 170.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -158.71 165.31 34.66 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 124.317 1.047 . . . . 52.43 109.333 -177.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -125.39 111.03 14.66 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 124.763 1.225 . . . . 72.21 109.829 -160.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.9 mt -87.28 128.8 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 125.813 1.645 . . . . 74.4 107.727 169.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.25 142.8 48.72 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.959 1.303 . . . . 73.21 109.019 170.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.0 mt -147.17 179.61 7.51 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.012 1.725 . . . . 74.35 109.073 -177.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.47 160.51 8.75 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 109.067 -0.716 . . . . 72.23 109.067 162.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 p -61.03 -60.88 3.08 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.131 0.572 . . . . 55.43 110.166 -172.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.0 mt -62.38 -42.86 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-O 118.036 -0.983 . . . . 71.04 110.823 178.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -49.55 -57.23 7.49 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 123.84 0.856 . . . . 74.34 109.745 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.92 -53.66 55.7 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.015 1.326 . . . . 72.32 110.237 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.59 -49.73 76.64 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 125.09 1.356 . . . . 72.13 110.986 -172.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -60.5 -53.05 62.26 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 118.671 -0.681 . . . . 72.35 109.855 175.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.5 HD21 ' CB ' ' A' ' 28' ' ' ALA . 38.5 tp -53.34 -44.77 68.75 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 123.62 0.768 . . . . 73.32 111.193 -173.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.0 tp -51.67 -52.13 50.45 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 118.392 0.542 . . . . 62.0 111.055 174.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -66.16 -26.1 67.26 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 122.926 0.49 . . . . 72.41 111.538 -174.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.03 -60.17 3.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 107.787 -1.19 . . . . 65.14 107.787 171.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.09 -19.68 63.22 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.16 1.384 . . . . 64.12 113.243 -179.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -91.51 12.83 19.51 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 120.314 1.415 . . . . 74.13 112.653 176.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.85 -45.55 1.59 Allowed 'General case' 0 C--O 1.234 0.286 0 O-C-N 121.427 -0.796 . . . . 52.44 111.579 -174.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 pp -72.38 -171.03 0.72 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.263 1.425 . . . . 65.03 111.328 172.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -53.05 165.29 0.61 Allowed Pre-proline 0 CA--C 1.546 0.806 0 C-N-CA 128.492 2.717 . . . . 63.41 115.457 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -67.28 164.29 31.07 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.612 2.208 . . . . 42.31 112.184 178.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -67.77 153.12 76.62 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 122.763 2.308 . . . . 71.1 112.887 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -82.8 126.99 33.04 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 128.003 2.521 . . . . 50.11 108.294 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.98 146.67 23.67 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.587 1.155 . . . . 74.31 108.186 -177.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.16 13.68 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 122.884 0.473 . . . . 71.32 111.516 -174.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.444 ' CB ' ' HE3' ' A' ' 78' ' ' LYS . 0.4 OUTLIER -169.32 33.82 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.621 1.168 . . . . 72.52 109.313 176.499 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.59 24.19 67.66 Favored Glycine 0 CA--C 1.533 1.174 0 O-C-N 120.525 -1.359 . . . . 74.1 113.918 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.659 ' HE2' ' H ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -120.64 113.39 20.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 127.668 2.387 . . . . 72.2 108.296 175.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.53 123.44 25.47 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 119.0 -1.08 . . . . 72.52 108.869 176.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.573 HD12 HD23 ' A' ' 11' ' ' LEU . 14.3 mm -64.58 164.51 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 124.538 1.135 . . . . 71.14 108.672 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.457 ' HB2' ' HB2' ' A' ' 9' ' ' ARG . 1.1 m-80 -129.9 157.12 43.14 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 126.562 1.945 . . . . 42.33 106.41 176.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 39.8 t -119.51 134.86 61.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 106.493 -1.669 . . . . 75.21 106.493 -173.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -134.1 161.24 35.42 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 123.899 0.88 . . . . 74.53 109.526 170.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -135.97 91.42 2.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.431 -1.259 . . . . 64.24 109.661 -172.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.12 76.31 3.48 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 122.214 1.007 . . . . 55.22 109.3 178.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 109.251 -0.648 . . . . 75.01 109.251 -175.26 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.237 0.415 0 CA-C-O 121.756 0.789 . . . . 75.21 112.725 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.8 m -101.03 109.28 21.16 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.646 -0.706 . . . . 54.5 109.416 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.9 mt -79.18 114.49 20.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 N-CA-C 105.427 -2.064 . . . . 72.41 105.427 166.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.3 mt -84.75 137.02 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 108.832 -0.803 . . . . 63.1 108.832 174.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.6 mt -106.59 159.22 16.35 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 124.311 1.044 . . . . 70.12 109.369 170.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 mtp-105 -139.53 172.52 12.69 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 125.261 1.424 . . . . 72.41 110.089 172.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.6 t30 73.07 14.3 4.7 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.728 2.011 . . . . 63.25 112.941 172.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.424 ' CD2' ' H ' ' A' ' 11' ' ' LEU . 1.2 mm? -55.83 125.16 20.14 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 120.515 -1.366 . . . . 72.22 108.967 175.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -69.93 157.96 88.44 Favored Pre-proline 0 C--O 1.236 0.394 0 CA-C-N 118.012 0.369 . . . . 74.23 110.428 176.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -65.08 -27.35 57.39 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 123.372 2.714 . . . . 64.12 112.316 -170.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -114.16 14.11 18.14 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.75 1.22 . . . . 74.25 112.244 -178.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 t -75.94 -24.23 55.49 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.215 -0.928 . . . . 71.34 113.392 -177.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.347 5.3 t 44.45 -164.59 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 128.069 2.548 . . . . 71.22 111.06 -164.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.0 ptm -91.89 -38.55 12.24 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 128.038 2.535 . . . . 61.32 106.148 162.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -71.72 -13.17 61.64 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 125.684 1.593 . . . . 74.15 112.57 -164.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.2 m -122.5 23.61 9.57 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.078 1.351 . . . . 72.21 111.026 175.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 56.6 mt -120.27 -39.61 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 126.861 2.064 . . . . 72.11 110.38 161.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.95 -40.86 45.15 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.863 1.265 . . . . 51.04 112.599 -167.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.1 -18.46 76.57 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-O 118.901 -0.944 . . . . 71.43 114.208 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.44 13.28 11.79 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 118.961 1.381 . . . . 61.52 112.86 -175.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 tt -126.44 39.46 3.93 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.301 1.041 . . . . 74.53 109.133 169.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.25 54.36 14.38 Favored Pre-proline 0 CA--C 1.549 0.909 0 N-CA-C 114.132 1.16 . . . . 70.11 114.132 -176.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -79.89 -21.79 8.0 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 123.123 2.549 . . . . 52.25 114.636 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.497 ' HB2' HD21 ' A' ' 62' ' ' LEU . 15.8 m-85 -132.61 -24.94 1.94 Allowed 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.82 0.737 . . . . 71.53 112.654 -172.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.438 ' HB2' ' CD2' ' A' ' 62' ' ' LEU . . . -136.37 123.35 21.47 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 104.995 -2.224 . . . . 62.44 104.995 178.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.4 t -96.6 71.64 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 107.569 -1.271 . . . . 63.1 107.569 -169.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.0 mt -55.37 158.91 2.96 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 126.919 2.088 . . . . 75.31 111.89 -171.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.2 t -118.95 161.96 19.32 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 122.407 1.099 . . . . 71.32 111.638 170.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 m -52.12 -24.08 6.39 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 128.126 2.57 . . . . 75.4 112.481 173.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 p -77.53 -53.77 7.21 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.101 1.36 . . . . 72.41 111.386 175.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -55.48 -42.55 74.54 Favored 'General case' 0 CA--C 1.51 -0.566 0 C-N-CA 125.189 1.395 . . . . 74.14 111.161 -175.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.6 t -81.2 112.57 19.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.864 0 N-CA-C 106.499 -1.667 . . . . 62.14 106.499 178.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.1 mmt-85 -92.05 126.99 37.35 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.978 1.311 . . . . 74.52 108.076 163.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.8 t -129.19 113.33 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 126.879 2.072 . . . . 61.41 107.761 170.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.3 mt -68.19 104.52 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 N-CA-C 105.746 -1.946 . . . . 71.12 105.746 172.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -85.62 132.93 34.08 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.222 -1.399 . . . . 61.4 107.222 168.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.45 137.07 57.21 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 122.736 0.414 . . . . 74.21 110.478 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -65.29 -31.88 73.25 Favored 'General case' 0 CA--C 1.516 -0.344 0 O-C-N 121.304 -0.872 . . . . 62.23 113.35 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -86.79 -55.05 4.03 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.34 -0.985 . . . . 63.42 108.34 -171.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.436 HG23 ' H ' ' A' ' 45' ' ' LEU . 14.9 t -89.65 -14.15 35.47 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 119.023 -0.513 . . . . 74.54 110.888 -168.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 72.32 -13.06 0.65 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.924 1.29 . . . . 72.34 112.557 -170.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.436 ' H ' HG23 ' A' ' 43' ' ' THR . 17.9 mt -65.71 178.25 1.07 Allowed 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 120.269 1.395 . . . . 74.45 111.327 178.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -88.18 176.41 7.27 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.98 1.312 . . . . 53.32 109.559 166.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -95.46 15.73 18.87 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.662 1.185 . . . . 72.2 113.655 175.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.34 14.49 71.74 Favored Glycine 0 CA--C 1.533 1.185 0 O-C-N 120.231 -1.543 . . . . 61.21 114.218 176.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.42 ' HA ' HD23 ' A' ' 11' ' ' LEU . 37.5 p90 -142.75 171.41 14.09 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 126.219 1.808 . . . . 70.21 107.754 169.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -148.01 171.28 16.07 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 124.602 1.161 . . . . 65.32 108.726 169.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -131.83 100.24 5.02 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.823 1.649 . . . . 74.41 106.795 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.7 mt -78.36 135.97 24.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 105.67 -1.974 . . . . 73.51 105.67 165.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.2 142.49 33.99 Favored 'General case' 0 N--CA 1.432 -1.371 0 CA-C-N 120.234 1.379 . . . . 72.11 108.434 164.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.9 mt -132.65 -171.04 2.56 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 125.064 1.345 . . . . 63.53 108.716 -166.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.48 147.46 3.35 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.915 -0.402 . . . . 74.14 109.915 150.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.1 p -47.38 -68.28 0.2 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.968 2.107 . . . . 54.31 111.465 177.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.9 mm -61.87 -39.54 83.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 125.397 1.479 . . . . 71.34 110.007 -176.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.46 -53.6 56.53 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.512 0.725 . . . . 75.32 110.047 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.54 -55.48 34.46 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.642 0.777 . . . . 71.41 111.095 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.2 -30.27 69.31 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 112.882 0.697 . . . . 61.23 112.882 -167.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -70.78 -57.46 4.62 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-N 119.275 0.943 . . . . 74.02 109.251 170.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 27' ' ' TYR . 1.0 OUTLIER -52.29 -45.39 65.47 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 124.525 1.13 . . . . 72.01 110.381 -170.226 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.0 tp -46.41 -53.5 10.93 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.095 0.958 . . . . 73.23 110.787 177.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -65.55 -34.85 79.21 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 118.637 -0.697 . . . . 73.14 112.07 -174.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 56.3 mt -54.1 -54.6 19.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 107.209 -1.404 . . . . 73.34 107.209 174.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.6 mt -59.14 -28.73 66.83 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.229 0.826 . . . . 63.22 113.229 -177.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -86.05 14.24 6.53 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.886 0.874 . . . . 74.04 112.337 -173.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -144.06 14.47 1.68 Allowed 'General case' 0 C--O 1.238 0.458 0 N-CA-C 113.989 1.107 . . . . 63.24 113.989 -172.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 pp -139.3 -173.96 3.74 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.483 1.113 . . . . 73.43 110.991 -172.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -46.66 158.47 0.41 Allowed Pre-proline 0 CA--C 1.538 0.504 0 C-N-CA 125.84 1.656 . . . . 62.15 112.43 176.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -69.66 164.92 32.64 Favored 'Trans proline' 0 CA--C 1.544 0.976 0 C-N-CA 121.518 1.479 . . . . 74.41 112.153 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -70.17 161.59 45.43 Favored 'Trans proline' 0 CA--C 1.544 1.016 0 C-N-CA 122.232 1.954 . . . . 73.25 113.391 -176.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.467 ' C ' HD13 ' A' ' 73' ' ' LEU . 3.4 tm? -98.2 116.04 29.58 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 129.409 3.084 . . . . 64.25 108.976 -172.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.26 146.14 25.49 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.486 1.115 . . . . 65.55 109.121 -178.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -128.44 16.73 2.93 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 C-N-CA 124.785 1.234 . . . . 72.32 111.187 178.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -161.39 37.74 0.14 Allowed 'General case' 0 N--CA 1.482 1.162 0 O-C-N 120.028 -1.67 . . . . 71.25 108.523 168.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.99 14.09 58.37 Favored Glycine 0 CA--C 1.537 1.458 0 O-C-N 120.652 -1.28 . . . . 54.02 115.826 -173.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.453 ' CD ' ' H ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -117.42 98.09 6.23 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 120.54 2.17 . . . . 73.53 109.59 -175.554 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.79 116.66 5.0 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 120.098 -1.626 . . . . 74.41 109.423 177.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.7 mm -66.4 165.22 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 124.997 1.319 . . . . 73.31 109.683 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -126.5 168.71 13.87 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 125.298 1.439 . . . . 74.3 110.906 -176.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.3 t -128.69 140.79 48.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 N-CA-C 107.974 -1.121 . . . . 62.34 107.974 -177.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -148.93 165.23 32.19 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 127.839 2.456 . . . . 63.42 106.55 171.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -137.83 104.12 5.19 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.842 0.857 . . . . 74.2 111.459 -169.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.3 84.15 1.89 Allowed 'General case' 0 C--O 1.234 0.254 0 C-N-CA 125.17 1.388 . . . . 74.33 108.347 175.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 C-N-CA 124.808 1.243 . . . . 73.44 107.892 176.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.854 0 N-CA-C 109.65 -1.38 . . . . 70.54 109.65 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -61.51 -32.16 72.19 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 117.485 -1.245 . . . . 65.32 114.244 -171.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 90.2 mtp 44.84 69.29 0.45 Allowed 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.635 1.107 . . . . 72.4 112.609 168.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 66.03 94.06 0.06 Allowed 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 126.726 2.011 . . . . 72.23 111.058 -177.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 56.9 m -139.85 127.42 21.65 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 125.384 1.473 . . . . 74.32 107.778 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.0 mt -85.99 134.4 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 105.19 -2.152 . . . . 70.52 105.19 164.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.5 mt -104.03 150.85 6.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 C-N-CA 125.435 1.494 . . . . 71.13 108.72 170.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.8 mt -117.14 162.0 18.53 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 124.78 1.232 . . . . 70.42 109.066 171.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -145.46 173.6 11.87 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 126.642 1.977 . . . . 74.44 108.597 -177.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.2 t30 60.53 28.25 17.92 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.172 1.389 . . . . 70.42 112.185 169.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.439 HD23 HD12 ' A' ' 80' ' ' ILE . 29.8 mt -73.0 133.86 44.45 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 106.916 -1.513 . . . . 71.35 106.916 171.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.662 ' H ' ' HE2' ' A' ' 78' ' ' LYS . 1.7 m-20 -71.44 161.54 77.86 Favored Pre-proline 0 C--O 1.239 0.511 0 C-N-CA 123.019 0.528 . . . . 70.55 109.676 175.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -54.47 -52.66 7.66 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 123.912 3.075 . . . . 73.12 112.778 174.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -72.02 -14.62 61.93 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.821 1.248 . . . . 63.22 114.27 -173.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.6 m -69.42 167.14 17.21 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 120.944 -1.097 . . . . 71.31 111.634 -174.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.6 t -147.08 169.52 19.09 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 107.049 -1.463 . . . . 61.22 107.049 171.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 59.0 ttp -60.33 -51.3 70.1 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 127.784 2.434 . . . . 73.15 107.641 -174.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.39 -28.34 69.17 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 118.504 0.593 . . . . 61.3 112.17 -175.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.0 m -71.58 -55.59 7.49 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 109.161 -0.681 . . . . 63.44 109.161 175.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.0 mt -55.05 -44.48 74.42 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.154 0 C-N-CA 123.911 0.884 . . . . 62.4 109.993 177.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.405 HD21 HG21 ' A' ' 35' ' ' VAL . 26.6 mt -59.17 -15.69 16.17 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.127 0.788 . . . . 62.2 113.127 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.74 -52.02 4.58 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 119.329 0.968 . . . . 74.44 111.4 172.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -111.9 13.78 20.9 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.476 0.917 . . . . 62.54 113.476 -164.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.8 tp -119.31 14.99 13.04 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 124.636 1.174 . . . . 73.3 110.61 173.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -133.07 54.2 12.8 Favored Pre-proline 0 CA--C 1.54 0.578 0 O-C-N 121.025 -1.047 . . . . 74.2 112.969 -168.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -72.18 -51.57 0.21 Allowed 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 121.784 1.656 . . . . 71.24 111.191 174.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.401 ' CZ ' HD22 ' A' ' 69' ' ' LEU . 92.0 m-85 -75.4 -56.51 4.63 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-O 118.804 -0.617 . . . . 74.41 110.252 -172.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.13 153.74 49.06 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.98 1.712 . . . . 74.24 108.912 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.3 t -122.21 116.43 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 106.483 -1.673 . . . . 74.32 106.483 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -64.22 172.39 2.49 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 122.623 0.369 . . . . 70.1 111.251 170.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.9 m -84.9 -85.56 0.14 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.602 -0.888 . . . . 72.33 108.602 165.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.4 p -170.26 -50.63 0.02 OUTLIER 'General case' 0 C--O 1.233 0.204 0 CA-C-N 119.566 1.075 . . . . 54.32 111.325 -168.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 p -63.5 -24.89 68.01 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 121.159 -0.963 . . . . 70.12 110.243 176.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -52.3 -48.44 65.36 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.799 1.24 . . . . 70.52 110.126 172.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.405 HG21 HD21 ' A' ' 21' ' ' LEU . 27.0 t -100.38 85.46 1.12 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-O 123.78 1.752 . . . . 64.11 109.667 -159.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.3 mmt-85 -71.95 93.36 1.35 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.887 1.675 . . . . 73.43 109.78 174.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.0 t -95.19 103.03 14.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 N-CA-C 104.189 -2.522 . . . . 74.44 104.189 162.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.0 mt -66.72 143.58 15.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 106.975 -1.491 . . . . 71.11 106.975 169.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.69 149.79 52.37 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.394 1.078 . . . . 64.24 110.661 176.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -63.46 178.67 0.53 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.251 1.82 . . . . 74.24 110.162 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -119.38 -30.55 4.86 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.7 -1.25 . . . . 64.31 112.125 167.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -80.96 -53.47 6.41 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 107.711 -1.218 . . . . 74.51 107.711 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.9 p -83.45 -14.28 52.88 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 121.051 -0.26 . . . . 63.31 110.997 -170.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 53.07 43.26 31.9 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.796 1.239 . . . . 71.55 109.847 -174.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.2 mt -116.81 174.09 6.28 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 124.996 1.318 . . . . 70.22 108.548 174.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -80.5 179.81 7.55 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 124.91 1.284 . . . . 71.32 109.759 172.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -89.55 -13.37 37.46 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.024 0.929 . . . . 73.15 112.848 163.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.92 -21.63 42.69 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-N 119.378 0.99 . . . . 71.53 114.155 169.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -105.78 170.95 7.6 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 121.17 -1.194 . . . . 73.25 108.287 162.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -152.17 175.97 12.04 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 124.546 1.138 . . . . 73.32 109.389 171.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -134.91 141.83 46.4 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.819 1.648 . . . . 72.42 107.699 -175.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.6 mt -121.09 109.8 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 127.777 2.431 . . . . 72.42 106.902 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.07 124.77 36.41 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 106.989 -1.486 . . . . 72.42 106.989 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.406 ' HB2' ' HB2' ' A' ' 59' ' ' ALA . 26.7 mt -141.12 169.34 17.79 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 125.836 1.655 . . . . 72.31 108.798 -178.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.4 t -65.66 166.08 11.38 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.857 0.863 . . . . 61.3 110.978 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.4 m -51.86 -29.14 18.46 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 127.775 2.43 . . . . 73.41 114.022 -169.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.2 mt -117.88 -25.88 2.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 125.402 1.481 . . . . 74.13 110.584 -176.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.63 -44.7 85.63 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.88 0.872 . . . . 73.52 111.266 -174.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.406 ' HB2' ' HB2' ' A' ' 54' ' ' LEU . . . -53.8 -54.75 33.95 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 123.626 0.579 . . . . 65.14 109.603 175.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.56 -47.26 76.68 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.3 1.44 . . . . 71.1 112.583 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -60.08 -60.23 4.16 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 118.837 0.744 . . . . 74.5 109.241 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 tt -52.7 -48.59 66.48 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.849 1.26 . . . . 72.53 110.052 -175.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -45.84 92.14 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 118.428 -0.796 . . . . 71.1 111.585 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -59.91 -36.36 76.84 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 120.054 1.297 . . . . 61.52 110.663 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 57.4 mt -51.38 -57.95 2.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 108.528 -0.916 . . . . 72.54 108.528 173.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.57 -16.66 49.95 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 126.079 1.752 . . . . 74.5 114.432 -178.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -98.5 13.41 31.9 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 119.614 1.097 . . . . 74.53 111.736 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -129.99 13.29 5.74 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 113.523 0.934 . . . . 70.12 113.523 -174.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.401 HD22 ' CZ ' ' A' ' 27' ' ' TYR . 4.3 pp -154.2 -171.79 3.99 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.729 0.695 . . . . 74.2 111.28 -166.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -46.45 152.61 0.84 Allowed Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 125.568 1.547 . . . . 74.31 113.567 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -64.79 161.65 35.22 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.587 2.192 . . . . 73.2 111.629 -178.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -69.03 167.19 24.19 Favored 'Trans proline' 0 N--CA 1.449 -1.135 0 C-N-CA 122.113 1.875 . . . . 54.13 110.904 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.458 HD23 ' H ' ' A' ' 74' ' ' THR . 0.2 OUTLIER -91.87 -179.46 5.31 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 127.152 2.181 . . . . 74.11 109.845 -172.054 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.458 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -132.76 151.05 52.08 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 124.638 1.175 . . . . 53.43 108.126 169.415 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -131.05 22.02 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 C-N-CA 125.313 1.445 . . . . 70.54 109.52 -178.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.486 ' CB ' ' HE3' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -166.72 -22.8 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 114.021 1.119 . . . . 74.15 114.021 179.558 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.95 13.64 3.6 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 128.662 3.029 . . . . 64.35 111.17 -178.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.662 ' HE2' ' H ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -119.16 111.65 18.52 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 127.582 2.353 . . . . 70.25 109.401 -177.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 m -72.66 121.81 20.4 Favored 'General case' 0 C--N 1.332 -0.192 0 O-C-N 121.459 -0.776 . . . . 74.22 109.465 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.439 HD12 HD23 ' A' ' 11' ' ' LEU . 23.1 mm -65.34 160.35 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 119.105 0.866 . . . . 70.2 110.592 -175.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.66 152.57 39.19 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 125.164 1.385 . . . . 50.3 107.432 171.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 t -117.02 137.5 50.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 N-CA-C 106.824 -1.546 . . . . 61.31 106.824 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -133.21 164.5 26.93 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 125.28 1.432 . . . . 70.2 108.026 172.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -139.74 116.13 10.6 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 124.225 1.01 . . . . 73.51 108.551 -176.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -117.71 70.79 0.8 Allowed 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 107.938 -1.134 . . . . 64.43 107.938 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.2 66.71 2.37 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.615 1.166 . . . . 70.43 108.558 173.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -95.28 89.29 1.16 Allowed Glycine 0 C--O 1.238 0.358 0 N-CA-C 108.18 -1.968 . . . . 71.11 108.18 176.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.6 p . . . . . 0 C--O 1.256 1.427 0 C-N-CA 123.95 0.9 . . . . 73.4 110.351 -176.05 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.42 0 N-CA-C 109.942 -1.263 . . . . 23.32 109.942 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -155.43 136.07 13.44 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 105.847 -1.908 . . . . 63.13 105.847 -176.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 34.7 mtm 74.17 30.35 1.22 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.315 1.446 . . . . 43.4 110.598 -159.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -165.79 121.24 1.28 Allowed 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 126.38 1.872 . . . . 75.33 108.597 -177.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.6 m -145.76 134.05 21.77 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 127.301 2.24 . . . . 61.01 108.405 147.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.8 mt -103.65 134.1 45.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 104.342 -2.466 . . . . 73.1 104.342 163.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.1 mt -108.25 144.7 16.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 107.485 -1.302 . . . . 74.23 107.485 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.422 HD11 HD11 ' A' ' 52' ' ' ILE . 6.8 mp -111.39 155.41 23.17 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.08 1.352 . . . . 63.54 107.886 173.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 -136.7 173.1 12.07 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 124.657 1.183 . . . . 73.5 108.853 171.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 61.7 t30 60.95 27.37 17.24 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.229 1.812 . . . . 74.32 113.256 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.403 ' CD2' ' H ' ' A' ' 11' ' ' LEU . 0.7 OUTLIER -66.35 115.81 6.69 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 119.69 -1.881 . . . . 75.14 106.216 165.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -58.4 156.64 21.27 Favored Pre-proline 0 C--O 1.236 0.349 0 CA-C-N 118.498 0.59 . . . . 72.4 110.107 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -59.7 -39.96 68.86 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 123.155 2.57 . . . . 64.53 111.923 -172.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -100.44 14.06 32.43 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.267 1.027 . . . . 72.5 112.952 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 73.2 m -74.81 168.24 20.27 Favored 'General case' 0 CA--C 1.53 0.178 0 O-C-N 121.101 -1.0 . . . . 51.21 110.874 167.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 p -124.85 -164.4 1.27 Allowed 'General case' 0 C--O 1.236 0.347 0 C-N-CA 124.02 0.928 . . . . 63.4 108.553 -178.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.8 ptm -88.14 -59.98 2.09 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 107.474 -1.306 . . . . 71.24 107.474 162.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -44.6 -44.43 8.87 Favored 'General case' 0 CA--C 1.521 -0.14 0 C-N-CA 127.611 2.364 . . . . 61.33 113.03 -178.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.7 m -74.26 -23.67 59.17 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.693 0.627 . . . . 64.4 112.693 -174.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.9 mt -85.18 -46.01 17.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 N-CA-C 108.418 -0.956 . . . . 74.41 108.418 169.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.8 mt -59.18 -37.84 78.37 Favored 'General case' 0 C--O 1.227 -0.097 0 C-N-CA 124.563 1.145 . . . . 62.52 111.215 -174.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.32 14.53 49.91 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-O 118.52 -1.155 . . . . 72.11 113.949 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -141.3 -25.4 0.72 Allowed 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.907 1.353 . . . . 64.5 113.028 -178.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 tt -113.27 37.25 3.24 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.879 2.071 . . . . 74.2 108.736 -175.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.48 53.85 1.16 Allowed Pre-proline 0 CA--C 1.551 1.011 0 N-CA-C 114.694 1.368 . . . . 73.44 114.694 174.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -84.12 -16.23 6.28 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 123.61 2.873 . . . . 65.01 115.253 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -133.01 -26.83 1.69 Allowed 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 120.196 1.362 . . . . 73.03 113.608 -175.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.26 155.88 46.69 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 126.364 1.866 . . . . 62.43 106.69 169.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.2 t -140.0 81.55 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 106.629 -1.619 . . . . 64.3 106.629 -167.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.8 mt -66.22 143.43 57.24 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 123.318 0.647 . . . . 71.43 109.991 -167.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.9 m -85.45 37.24 0.68 Allowed 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.657 1.583 . . . . 74.4 111.662 -168.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.9 m 60.19 -64.01 0.06 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 127.408 2.283 . . . . 73.44 114.319 -177.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.4 t -50.14 -35.21 24.96 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 126.773 2.029 . . . . 55.1 111.466 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -50.41 -33.16 19.75 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 118.773 -0.632 . . . . 74.12 111.883 173.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.7 t -108.28 137.82 38.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 119.513 1.051 . . . . 73.11 111.626 -162.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.51 90.26 2.97 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 126.533 1.933 . . . . 75.42 108.657 -176.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.6 t -87.36 97.57 6.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 105.449 -2.056 . . . . 72.33 105.449 160.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.2 mt -78.3 138.19 20.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 107.172 -1.418 . . . . 62.44 107.172 176.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -85.4 158.46 20.23 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 123.182 0.593 . . . . 75.23 110.701 173.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.69 -174.77 0.11 Allowed 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 124.538 1.135 . . . . 61.15 113.194 172.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -108.99 -29.77 8.41 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.725 1.61 . . . . 75.55 112.99 169.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -101.36 -46.44 5.01 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.273 0.629 . . . . 61.51 109.466 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.406 ' C ' ' H ' ' A' ' 45' ' ' LEU . 52.9 p -82.15 -16.07 51.12 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 118.767 -1.173 . . . . 73.23 111.74 -166.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 65.34 -13.41 0.13 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 127.742 2.417 . . . . 71.34 114.108 -172.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.406 ' H ' ' C ' ' A' ' 43' ' ' THR . 31.5 mt -65.39 -179.08 0.57 Allowed 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 127.722 2.409 . . . . 75.42 110.482 172.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -69.87 166.71 18.88 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 124.703 1.201 . . . . 73.32 109.906 168.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -73.78 -14.24 61.08 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 118.276 -0.868 . . . . 73.51 113.205 165.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.7 -15.47 62.98 Favored Glycine 0 CA--C 1.528 0.889 0 CA-C-N 119.943 1.247 . . . . 20.35 113.071 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -123.43 160.08 27.62 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 126.823 2.049 . . . . 71.13 107.493 167.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -145.93 175.39 10.47 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 123.929 0.892 . . . . 52.22 109.419 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -132.29 154.7 49.42 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.154 1.382 . . . . 74.33 108.656 -172.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.422 HD11 HD11 ' A' ' 8' ' ' LEU . 66.3 mt -127.14 140.44 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 128.233 2.613 . . . . 60.33 107.57 170.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -127.57 90.26 3.09 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 127.603 2.361 . . . . 75.13 107.792 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.6 mt -93.77 -173.95 3.31 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 126.141 1.776 . . . . 71.24 110.622 -174.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.5 t -70.02 154.32 42.09 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 107.13 -1.434 . . . . 73.31 107.13 156.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.1 m -59.84 -46.29 89.74 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.898 0.879 . . . . 75.02 111.323 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.1 mt -64.21 -46.51 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 O-C-N 121.295 -0.878 . . . . 53.33 109.581 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -63.28 -44.77 94.14 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.099 0.56 . . . . 64.3 110.351 -176.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.12 -43.77 74.41 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.577 1.151 . . . . 63.42 110.519 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.12 -62.39 1.58 Allowed 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 122.558 0.343 . . . . 43.34 110.735 173.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -53.21 -52.98 57.13 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 124.319 1.048 . . . . 73.1 111.423 -171.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.24 -44.08 92.36 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.588 1.155 . . . . 72.42 109.859 -177.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 tp -58.98 -39.77 82.77 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 110.026 -0.361 . . . . 75.04 110.026 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -63.4 -40.61 97.66 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.368 0.531 . . . . 74.03 110.735 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 62.5 mt -59.44 -50.05 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 N-CA-C 107.864 -1.162 . . . . 74.41 107.864 174.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.9 mt -60.23 -14.67 19.0 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 114.214 1.19 . . . . 71.2 114.214 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -107.94 31.86 5.19 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.029 1.732 . . . . 71.32 111.037 175.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.57 -30.19 0.13 Allowed 'General case' 0 C--O 1.236 0.386 0 C-N-CA 124.903 1.281 . . . . 72.01 113.885 169.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -172.09 1.25 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.283 1.833 . . . . 73.3 114.672 -169.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -66.08 144.87 98.94 Favored Pre-proline 0 CA--C 1.535 0.373 0 C-N-CA 123.87 0.868 . . . . 63.1 111.074 172.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -65.53 161.78 36.87 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 122.817 2.344 . . . . 73.32 112.204 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -73.79 140.37 29.0 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 122.605 2.203 . . . . 65.2 113.26 -171.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 tt -61.32 114.18 3.04 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 127.986 2.514 . . . . 73.54 107.983 172.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.86 145.47 32.71 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.301 -0.875 . . . . 64.3 108.675 174.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.0 16.38 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 124.108 0.963 . . . . 63.13 111.071 -171.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -170.63 24.32 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 126.491 1.917 . . . . 73.44 109.702 176.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.45 19.89 79.73 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 120.558 -1.339 . . . . 45.04 114.317 -175.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.509 ' CE ' HD11 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -119.54 95.68 4.89 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 127.921 2.488 . . . . 70.31 110.622 -179.411 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.7 m -63.49 116.16 5.33 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.239 -1.022 . . . . 72.44 108.239 172.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.509 HD11 ' CE ' ' A' ' 78' ' ' LYS . 48.8 mm -61.92 163.85 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 124.268 1.027 . . . . 72.2 110.161 177.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.8 161.57 22.46 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 125.938 1.695 . . . . 70.53 109.227 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 t -121.77 142.46 37.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 125.844 1.658 . . . . 65.31 106.848 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -148.19 165.01 32.21 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 126.117 1.767 . . . . 44.22 107.728 174.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -129.66 128.82 43.37 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 106.975 -1.491 . . . . 61.1 106.975 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.47 64.79 1.54 Allowed 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 107.526 -1.287 . . . . 73.23 107.526 174.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.39 55.01 1.19 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.728 1.611 . . . . 64.01 109.012 -178.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.65 15.58 47.89 Favored Glycine 0 CA--C 1.534 1.233 0 O-C-N 120.584 -1.323 . . . . 75.04 113.939 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.25 1.112 0 C-N-CA 126.168 1.787 . . . . 71.42 107.497 -178.882 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.888 0 N-CA-C 110.589 -1.004 . . . . 52.24 110.589 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -154.79 -64.53 0.13 Allowed 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 107.553 -1.277 . . . . 75.21 107.553 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.13 165.49 0.22 Allowed 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.978 1.311 . . . . 61.5 110.359 167.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.443 ' HB3' ' CB ' ' A' ' 59' ' ' ALA . 19.6 m-20 71.65 86.31 0.12 Allowed 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 126.414 1.886 . . . . 73.4 109.782 172.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.9 m -119.72 108.32 14.29 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 112.631 -2.077 . . . . 61.32 105.515 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.9 mt -81.56 144.0 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 104.495 -2.409 . . . . 53.33 104.495 160.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.1 mt -126.07 137.87 56.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 105.587 -2.005 . . . . 72.41 105.587 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.7 mt -102.42 157.25 17.05 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 107.965 -1.124 . . . . 64.31 107.965 170.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -134.27 176.3 8.72 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 126.474 1.91 . . . . 75.3 108.626 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.6 t30 48.52 52.67 13.34 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 125.432 1.493 . . . . 62.21 110.939 173.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.4 mt -95.54 131.34 41.83 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 106.381 -1.711 . . . . 55.03 106.381 172.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -73.4 159.41 84.86 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 108.944 -0.762 . . . . 64.4 108.944 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -68.51 -17.88 43.45 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 124.035 3.156 . . . . 74.51 114.158 -177.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.26 -25.6 42.51 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.094 0.958 . . . . 73.03 111.957 172.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.6 p -71.7 170.33 13.75 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 119.7 -0.8 . . . . 75.22 112.095 -160.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 t -146.73 165.31 30.03 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 106.15 -1.796 . . . . 55.24 106.15 164.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.6 ptt? -52.76 -36.7 58.36 Favored 'General case' 0 C--O 1.211 -0.968 0 C-N-CA 124.789 1.236 . . . . 44.32 109.804 160.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.84 -29.43 69.5 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 120.178 1.353 . . . . 75.2 112.563 -174.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -77.41 -63.44 1.37 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.565 1.546 . . . . 60.1 107.42 175.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.474 HD11 ' HZ1' ' A' ' 78' ' ' LYS . 68.7 mt -63.28 -25.98 39.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 127.01 2.124 . . . . 61.42 111.687 -169.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.3 mt -68.14 -19.41 64.81 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 120.481 -1.387 . . . . 75.12 113.209 175.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.11 -33.21 5.28 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.17 -0.772 . . . . 74.1 111.17 172.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.08 -36.59 16.85 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 122.039 -0.683 . . . . 61.5 111.565 -170.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.5 tp -102.56 42.48 1.14 Allowed 'General case' 0 C--O 1.233 0.216 0 N-CA-C 107.678 -1.23 . . . . 72.34 107.678 -178.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.68 54.14 2.78 Favored Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 123.834 0.854 . . . . 60.11 111.188 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.48 ' HG2' ' CD1' ' A' ' 27' ' ' TYR . 60.9 Cg_endo -71.26 -24.7 22.84 Favored 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 122.527 2.151 . . . . 61.12 113.996 -175.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.48 ' CD1' ' HG2' ' A' ' 26' ' ' PRO . 7.8 m-85 -135.46 -59.36 0.77 Allowed 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 107.629 -1.249 . . . . 75.5 107.629 -169.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.42 164.13 12.1 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 124.386 1.075 . . . . 75.54 109.358 176.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.9 t -139.46 112.01 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 N-CA-C 107.331 -1.359 . . . . 72.13 107.331 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.3 mt -79.73 -171.77 3.0 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.341 1.856 . . . . 63.34 110.883 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 74.1 m -129.94 164.13 24.88 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.728 1.611 . . . . 40.22 110.444 165.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.8 p -66.6 -24.97 66.4 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 120.798 -1.189 . . . . 63.02 111.872 -176.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 p -54.69 -24.9 23.96 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 125.03 1.332 . . . . 71.14 112.467 168.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -111.05 14.27 21.93 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 126.037 1.735 . . . . 42.3 109.676 -171.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.5 t -135.74 92.99 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 107.199 -1.408 . . . . 72.13 107.199 174.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.56 98.0 2.73 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 107.047 -1.464 . . . . 75.2 107.047 169.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.7 t -98.38 106.01 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 104.71 -2.329 . . . . 61.32 104.71 164.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.3 mt -70.25 138.3 22.27 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 106.518 -1.66 . . . . 73.23 106.518 165.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.47 157.88 41.44 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 123.431 0.692 . . . . 71.44 109.61 175.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -69.81 163.58 25.51 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.658 1.183 . . . . 73.13 110.405 -178.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -103.84 -20.3 13.97 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.235 1.414 . . . . 55.23 112.754 -178.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -112.16 -46.25 3.22 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 125.601 1.561 . . . . 74.31 108.728 -174.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.3 p -89.93 -16.3 30.23 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 118.097 0.408 . . . . 74.41 111.742 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 53.76 46.33 26.06 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.122 1.369 . . . . 72.31 110.952 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.2 mt -124.64 156.15 38.0 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.789 1.636 . . . . 75.31 109.625 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -66.95 164.26 17.99 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 122.742 1.258 . . . . 60.24 112.467 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.48 -13.69 60.39 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.37 -0.831 . . . . 72.21 111.288 167.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.51 -14.79 64.48 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-N 119.985 1.266 . . . . 60.23 114.457 171.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -120.57 160.16 23.78 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 106.891 -1.522 . . . . 72.31 106.891 162.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -143.7 157.08 44.65 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 124.532 1.133 . . . . 74.24 108.933 -177.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -106.97 153.76 22.09 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 125.104 1.361 . . . . 60.12 107.708 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.5 mt -133.03 128.53 56.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 C-N-CA 127.03 2.132 . . . . 74.54 107.157 176.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -105.4 126.53 52.22 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 106.135 -1.802 . . . . 73.2 106.135 171.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.2 mt -136.57 169.97 16.82 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 125.821 1.648 . . . . 64.54 107.328 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.5 t -65.69 162.37 18.67 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 108.929 -0.767 . . . . 73.1 108.929 169.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.9 m -45.47 -51.83 11.06 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 127.606 2.362 . . . . 73.4 110.612 173.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.1 mt -68.23 -52.55 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 109.031 -0.729 . . . . 54.4 109.031 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.41 -47.31 86.65 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.431 0.692 . . . . 75.3 110.874 -168.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 4' ' ' ASP . . . -57.96 -56.69 18.75 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.234 1.014 . . . . 34.15 109.173 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.49 -61.28 2.41 Favored 'General case' 0 N--CA 1.446 -0.661 0 O-C-N 124.146 0.903 . . . . 75.14 109.636 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -57.18 -47.76 80.44 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 118.42 -0.8 . . . . 60.31 111.194 -174.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.72 -48.03 78.64 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 119.368 0.985 . . . . 74.2 110.408 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 tp -62.66 -35.36 79.39 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 119.18 -0.438 . . . . 73.11 110.375 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.24 -54.49 40.11 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-N 118.959 0.8 . . . . 44.34 109.467 175.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 58.7 mt -44.61 -58.69 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.24 0 C-N-CA 124.708 1.203 . . . . 72.4 109.876 175.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.5 mt -67.78 -14.3 62.83 Favored 'General case' 0 C--N 1.34 0.181 0 N-CA-C 115.87 1.804 . . . . 41.3 115.87 -171.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -99.83 12.89 35.55 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 120.013 1.278 . . . . 73.1 111.904 176.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -123.16 14.07 9.73 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.869 0.868 . . . . 71.43 112.067 -175.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 pp -148.97 -174.15 4.56 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.585 0.754 . . . . 43.14 111.942 -167.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -53.02 156.85 3.23 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 126.242 1.817 . . . . 73.22 112.514 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -67.92 163.24 36.4 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 121.875 1.717 . . . . 73.22 112.306 -176.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -64.02 142.69 82.36 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 123.118 2.545 . . . . 71.3 111.669 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.46 124.8 27.25 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.829 2.052 . . . . 74.14 107.398 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.9 t -89.18 151.25 22.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.059 -0.719 . . . . 75.33 109.059 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.7 mp -129.57 14.08 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 123.898 0.879 . . . . 73.13 110.84 -167.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 174.67 30.25 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 127.008 2.123 . . . . 53.24 108.186 -177.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.39 24.82 66.12 Favored Glycine 0 CA--C 1.534 1.24 0 O-C-N 119.304 -2.122 . . . . 54.13 112.617 -175.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.562 ' HE2' HD11 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -112.63 91.95 3.84 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 126.881 2.072 . . . . 73.3 109.378 171.641 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.27 121.11 13.5 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.122 -1.066 . . . . 75.44 108.122 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.562 HD11 ' HE2' ' A' ' 78' ' ' LYS . 35.3 mm -62.66 163.48 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 N-CA-C 108.057 -1.09 . . . . 75.54 108.057 -178.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.12 160.38 37.97 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 107.519 -1.289 . . . . 75.42 107.519 166.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.8 t -121.3 143.78 32.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 108.003 -1.11 . . . . 71.44 108.003 -174.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -125.06 159.13 32.1 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 122.34 1.067 . . . . 75.4 108.977 153.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -114.94 93.74 4.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.008 -1.906 . . . . 74.51 105.948 168.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.83 70.38 10.35 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 106.596 -1.631 . . . . 75.21 106.596 170.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.9 tptp -82.83 75.77 9.71 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 107.61 -1.255 . . . . 64.41 107.61 176.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -51.65 119.86 9.25 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 107.682 -2.167 . . . . 75.23 107.682 172.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 C--O 1.253 1.26 0 C-N-CA 126.267 1.827 . . . . 72.14 107.078 -175.576 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.666 0 N-CA-C 110.68 -0.968 . . . . 73.45 110.68 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -125.24 -61.54 1.27 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 107.42 -1.326 . . . . 70.14 107.42 170.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.5 mtp -60.77 131.04 49.44 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 107.392 -1.336 . . . . 72.21 107.392 157.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 46.44 83.54 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 128.666 2.786 . . . . 62.35 111.987 158.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.8 m -132.95 107.78 8.5 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 106.084 -1.821 . . . . 64.22 106.084 172.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.6 mt -82.01 124.48 39.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 104.572 -2.381 . . . . 73.51 104.572 173.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 mp -99.35 136.63 29.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 124.229 1.011 . . . . 54.13 109.918 176.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mp -93.89 149.0 21.61 Favored 'General case' 0 N--CA 1.461 0.102 0 C-N-CA 126.565 1.946 . . . . 72.14 106.968 167.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.56 176.8 8.6 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 126.153 1.781 . . . . 70.52 107.704 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 56.9 t30 52.03 48.63 22.36 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 125.46 1.504 . . . . 75.41 110.51 -177.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.468 HD23 HD12 ' A' ' 80' ' ' ILE . 93.8 mt -94.02 128.13 40.21 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 107.589 -1.263 . . . . 73.12 107.589 176.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.428 ' HB2' ' HE2' ' A' ' 78' ' ' LYS . 2.7 m-20 -67.68 144.69 97.73 Favored Pre-proline 0 C--O 1.239 0.51 0 CA-C-O 117.492 -1.242 . . . . 74.51 107.805 173.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.92 -32.67 35.16 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 123.962 3.108 . . . . 74.15 112.446 -174.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -57.28 -32.03 66.21 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.236 0.615 . . . . 74.34 112.438 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.97 172.88 12.82 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 122.404 1.097 . . . . 73.13 111.763 -170.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.0 p -122.66 -86.98 0.64 Allowed 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.083 1.753 . . . . 74.31 107.214 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.7 tpt -163.62 -37.3 0.03 OUTLIER 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 126.756 2.022 . . . . 73.51 109.357 171.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -56.81 -48.43 77.98 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.33 1.052 . . . . 64.43 111.398 -172.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.57 24.51 0.58 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.757 1.623 . . . . 70.44 112.061 177.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.8 mt -123.48 -41.96 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 126.186 1.794 . . . . 54.43 108.511 166.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.4 mt -64.69 -14.71 59.56 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 120.043 1.292 . . . . 71.21 114.062 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -86.97 -14.7 64.2 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 119.653 1.115 . . . . 63.13 112.96 173.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -141.44 12.68 2.15 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 119.001 1.401 . . . . 41.05 114.604 -172.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.9 tp -127.48 19.31 6.82 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.699 1.199 . . . . 71.53 108.911 170.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -122.58 54.25 5.7 Favored Pre-proline 0 N--CA 1.449 -0.523 0 O-C-N 120.819 -1.175 . . . . 75.21 112.442 -174.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -74.38 -16.95 21.64 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 121.878 1.719 . . . . 74.41 113.375 170.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -137.37 -66.86 0.5 Allowed 'General case' 0 C--N 1.343 0.324 0 CA-C-N 119.597 1.089 . . . . 72.41 110.735 -177.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.51 127.12 31.74 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 107.243 -1.392 . . . . 74.55 107.243 171.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.7 t -134.02 82.5 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 106.934 -1.506 . . . . 73.53 106.934 -172.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -75.48 154.53 36.92 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.981 0.419 . . . . 74.15 111.633 -169.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.9 m -86.36 58.17 4.9 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.891 1.276 . . . . 72.32 110.372 174.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.5 t 58.21 -81.2 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 126.269 1.828 . . . . 53.22 113.16 171.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 t -62.96 -23.2 67.3 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 119.958 1.254 . . . . 71.23 113.231 -174.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -45.52 -35.6 3.99 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 120.475 1.488 . . . . 73.55 110.938 167.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.0 t -89.31 102.74 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 CA-C-O 121.688 0.756 . . . . 72.54 109.454 172.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.62 118.48 12.54 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.282 1.433 . . . . 74.32 108.905 165.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 23.6 t -122.29 115.48 46.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 126.41 1.884 . . . . 61.32 108.523 174.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.4 mt -87.54 150.33 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 125.097 1.359 . . . . 61.11 108.364 172.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.87 157.64 39.94 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 124.434 1.094 . . . . 73.14 109.108 167.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -73.61 168.32 19.56 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.939 0.876 . . . . 61.53 111.94 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -83.04 -51.46 7.53 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.235 1.414 . . . . 71.11 109.448 175.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -68.22 -60.66 2.3 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 119.224 0.92 . . . . 70.32 110.166 176.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 45.5 p -82.65 -19.92 37.29 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.986 -0.285 . . . . 63.22 110.771 -161.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 60.97 15.65 6.29 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.016 1.727 . . . . 72.23 112.307 -176.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.0 mt -108.43 157.68 18.2 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 125.538 1.535 . . . . 70.25 109.018 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -63.59 167.44 5.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 122.697 1.237 . . . . 54.01 113.873 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -84.02 -12.97 54.38 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.382 1.873 . . . . 72.15 112.322 -176.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.79 13.24 54.02 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 126.397 1.951 . . . . 52.05 113.409 -176.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -154.7 165.52 36.29 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 125.372 1.469 . . . . 74.35 109.355 176.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -152.6 168.06 26.83 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.236 1.414 . . . . 41.42 109.857 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -130.23 105.8 8.16 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 124.427 1.091 . . . . 72.31 110.261 -164.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.0 mt -75.19 143.33 13.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 124.891 1.276 . . . . 73.51 109.366 169.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -122.74 124.49 43.49 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 126.611 1.964 . . . . 65.43 107.175 170.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.9 mt -135.68 178.02 7.37 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.864 2.066 . . . . 72.51 108.533 178.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.5 m -60.92 159.15 11.82 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 123.591 0.756 . . . . 65.33 110.466 168.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.1 p -61.95 -30.83 71.18 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.811 0.844 . . . . 70.13 112.323 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.1 mm -87.73 -49.21 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 123.964 0.906 . . . . 71.22 109.637 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.19 -46.8 87.32 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 118.878 -0.582 . . . . 73.11 110.505 -172.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.1 -55.71 19.1 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.471 -0.566 . . . . 61.22 109.471 178.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.5 -57.75 10.63 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.058 0.943 . . . . 64.34 111.244 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -55.04 -53.42 56.01 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 123.407 0.683 . . . . 72.43 111.412 -173.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.18 -39.83 86.48 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.54 1.136 . . . . 34.24 109.562 -173.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.3 -42.09 85.88 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 118.067 -0.968 . . . . 52.22 110.455 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -59.24 -34.45 72.23 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.627 0.649 . . . . 74.45 111.167 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 29.1 mt -61.62 -55.61 23.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 N-CA-C 107.682 -1.229 . . . . 73.11 107.682 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.406 ' HA ' HD11 ' A' ' 69' ' ' LEU . 2.4 mm? -57.76 -14.44 5.81 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.659 1.584 . . . . 63.32 114.76 174.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -97.72 14.73 25.83 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 119.72 1.145 . . . . 62.35 112.041 177.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -144.16 13.9 1.64 Allowed 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 114.708 1.373 . . . . 42.31 114.708 -173.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.428 ' H ' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -135.18 -163.5 1.39 Allowed 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.755 1.222 . . . . 75.31 112.758 -168.126 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -70.92 146.44 93.05 Favored Pre-proline 0 CA--C 1.548 0.878 0 O-C-N 122.086 -0.384 . . . . 75.44 110.364 175.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -66.93 169.49 14.75 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 124.283 3.322 . . . . 44.43 113.162 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -71.5 155.49 59.53 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.475 2.117 . . . . 73.15 113.744 -174.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.6 tt -75.33 119.75 19.86 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 128.201 2.601 . . . . 74.43 107.484 173.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.82 135.17 34.21 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.216 -0.927 . . . . 75.32 108.932 176.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.82 13.48 6.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 122.969 0.508 . . . . 75.15 110.938 -171.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -168.67 32.94 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.593 1.557 . . . . 74.12 109.653 177.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.11 21.48 66.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 120.827 -1.171 . . . . 72.55 114.142 -178.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.428 ' HE2' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -119.93 111.6 18.13 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 127.63 2.372 . . . . 74.43 108.134 174.143 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 50.3 m -84.13 125.49 32.21 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.809 -0.812 . . . . 75.22 108.809 177.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.468 HD12 HD23 ' A' ' 11' ' ' LEU . 19.8 mm -71.18 165.81 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 124.315 1.046 . . . . 74.14 109.77 -174.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.9 162.73 21.68 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 126.839 2.056 . . . . 73.21 109.422 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.4 t -103.52 143.09 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 125.498 1.519 . . . . 74.32 109.191 166.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -139.35 161.49 37.33 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.983 0.913 . . . . 72.53 109.468 155.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -135.06 95.58 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 125.195 1.398 . . . . 53.22 108.856 -173.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.08 85.09 6.91 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 107.543 -1.281 . . . . 41.23 107.543 169.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -101.13 69.92 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 128.256 2.622 . . . . 74.33 107.762 172.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -68.29 -15.43 67.86 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 118.894 -0.948 . . . . 33.23 112.813 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.253 1.246 0 CA-C-N 118.244 1.022 . . . . 65.52 109.935 -167.548 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.11 0 N-CA-C 111.282 -0.727 . . . . 72.22 111.282 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 51.7 m80 56.6 29.86 16.35 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.721 1.208 . . . . 75.04 111.473 -171.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 47.8 mtt -73.46 23.24 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 126.177 1.791 . . . . 74.12 111.793 177.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -173.29 84.72 0.05 Allowed 'General case' 0 N--CA 1.437 -1.124 0 CA-C-O 122.608 1.194 . . . . 74.14 110.942 -171.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -135.84 107.93 7.2 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.845 -1.169 . . . . 73.34 107.845 170.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.8 mt -85.93 143.77 10.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 104.519 -2.4 . . . . 61.13 104.519 157.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.458 HD11 ' HB3' ' A' ' 85' ' ' ALA . 4.5 mp -121.96 153.21 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 125.629 1.572 . . . . 74.21 107.124 175.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.7 mt -118.77 154.19 33.22 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.385 -0.968 . . . . 71.43 108.385 172.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.616 ' HB2' ' HB2' ' A' ' 81' ' ' ASN . 5.9 mtp-105 -135.32 165.6 25.08 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.063 0.945 . . . . 73.32 109.43 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 63.4 t30 64.46 41.4 5.67 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.113 1.365 . . . . 72.32 111.431 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.29 123.57 28.62 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 104.902 -2.259 . . . . 64.11 104.902 174.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -64.88 157.07 77.34 Favored Pre-proline 0 C--O 1.238 0.472 0 N-CA-C 108.302 -0.999 . . . . 64.24 108.302 171.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -70.42 -32.92 14.99 Favored 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 121.621 1.547 . . . . 75.51 110.382 -173.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -70.84 -16.86 62.74 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 125.412 1.485 . . . . 64.54 113.918 176.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.0 m -65.75 158.36 27.79 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.158 -0.682 . . . . 71.4 109.158 -177.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 p -135.32 158.74 43.6 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 104.628 -2.36 . . . . 71.44 104.628 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.9 ttp -57.18 -50.93 71.3 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 106.502 -1.666 . . . . 72.23 106.502 175.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -69.29 -37.6 77.91 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.795 0.838 . . . . 74.32 112.559 -172.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.82 -53.84 53.3 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 123.322 0.649 . . . . 74.34 110.083 171.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.1 mt -69.87 -34.49 60.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 108.294 -1.002 . . . . 70.43 108.294 -177.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.5 mt -62.09 -34.52 76.45 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 117.87 -1.062 . . . . 72.44 111.668 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.07 -25.62 40.0 Favored Glycine 0 CA--C 1.523 0.582 0 CA-C-O 118.974 -0.903 . . . . 71.14 113.437 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -110.58 -16.77 13.57 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 118.479 1.139 . . . . 74.45 113.839 -167.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.4 tp -110.75 40.17 2.07 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.932 1.293 . . . . 74.31 108.41 173.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.81 53.59 7.47 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 113.382 0.882 . . . . 71.24 113.382 -174.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.407 ' HG2' ' CD2' ' A' ' 27' ' ' TYR . 63.9 Cg_endo -71.96 -33.2 10.13 Favored 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 121.264 1.309 . . . . 63.12 111.699 166.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.407 ' CD2' ' HG2' ' A' ' 26' ' ' PRO . 22.8 m-85 -122.73 -23.94 4.98 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.062 0.945 . . . . 65.23 112.477 -166.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -135.67 117.79 15.44 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 119.121 0.873 . . . . 63.04 109.392 168.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.2 t -98.64 89.02 1.76 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 N-CA-C 105.841 -1.911 . . . . 64.02 105.841 172.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.0 mt -68.95 169.86 10.85 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 108.76 -0.829 . . . . 73.35 108.76 -177.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.7 m -98.0 158.39 15.57 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 120.879 -1.138 . . . . 61.04 109.511 165.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.7 m -60.22 -29.71 68.91 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.303 -0.873 . . . . 70.22 112.675 174.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.4 m -62.92 -26.78 68.96 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 119.3 0.955 . . . . 71.14 112.635 174.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -75.5 -26.82 58.46 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 119.273 0.942 . . . . 54.13 111.185 177.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.3 t -109.59 108.11 24.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 118.957 0.799 . . . . 73.22 110.675 -158.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.94 113.85 26.23 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 124.434 1.093 . . . . 74.43 108.846 178.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.0 t -117.43 110.7 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 106.487 -1.671 . . . . 63.31 106.487 174.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.1 mt -75.32 129.02 37.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 N-CA-C 107.631 -1.248 . . . . 62.5 107.631 175.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -111.23 146.51 36.82 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 126.417 1.887 . . . . 54.23 109.159 173.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -74.87 -178.51 3.76 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.175 0.59 . . . . 54.2 111.13 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -123.69 -25.92 4.24 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.858 1.263 . . . . 74.53 112.082 173.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.83 -56.54 3.43 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 107.06 -1.459 . . . . 74.34 107.06 173.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.6 p -78.52 -22.39 47.4 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 117.946 0.339 . . . . 74.13 110.816 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 57.38 13.45 1.78 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 128.89 2.876 . . . . 75.24 114.778 -169.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.9 mt -107.01 167.17 10.08 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 120.43 1.468 . . . . 52.13 110.213 -173.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.64 155.46 33.27 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.186 -0.946 . . . . 63.2 110.554 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -68.61 -13.2 62.19 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.852 1.056 . . . . 75.21 113.852 171.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.1 13.3 31.71 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 124.165 0.888 . . . . 61.42 114.274 170.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -142.4 173.28 11.67 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 127.501 2.32 . . . . 73.33 107.336 171.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -149.82 164.62 34.85 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 107.954 -1.128 . . . . 62.02 107.954 173.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -123.26 152.23 41.56 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.283 1.433 . . . . 75.15 107.206 176.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 51.5 mt -133.41 114.22 20.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 128.084 2.554 . . . . 63.23 104.762 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.36 107.04 17.82 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 104.365 -2.458 . . . . 74.43 104.365 -177.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 mt -109.9 -170.71 1.7 Allowed 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.334 1.054 . . . . 61.35 109.179 -175.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.82 160.18 32.25 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.481 -0.762 . . . . 62.22 110.046 158.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.8 p -54.65 -60.51 3.26 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 124.406 1.083 . . . . 53.42 110.261 176.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.9 mt -60.33 -47.78 90.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 124.921 1.289 . . . . 63.41 109.224 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -62.41 -44.96 95.19 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 118.706 0.685 . . . . 65.11 111.74 -172.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.87 -50.98 70.84 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.873 0.869 . . . . 72.42 109.029 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.42 -58.4 8.19 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 118.758 -0.639 . . . . 55.53 110.566 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -51.57 -60.22 3.39 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 125.777 1.631 . . . . 75.23 111.356 -174.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -55.7 -44.85 77.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.418 0.687 . . . . 71.24 109.622 -177.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.96 -36.27 83.41 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 118.996 -0.526 . . . . 64.12 111.511 -177.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -57.53 -45.27 85.24 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 108.826 -0.805 . . . . 73.05 108.826 177.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.5 mt -62.44 -48.81 86.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 N-CA-C 107.873 -1.158 . . . . 70.15 107.873 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.1 mt -58.23 -14.39 7.04 Favored 'General case' 0 C--N 1.342 0.241 0 N-CA-C 114.653 1.353 . . . . 63.22 114.653 177.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -110.5 14.48 22.5 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.243 0.929 . . . . 54.51 112.406 173.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -123.69 -14.85 7.17 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 126.56 1.944 . . . . 71.34 113.356 177.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.407 HD12 ' H ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -112.95 -170.22 1.63 Allowed 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 114.825 1.417 . . . . 74.31 114.825 -155.868 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.3 144.22 88.09 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 125.683 1.593 . . . . 52.32 111.784 171.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -71.41 154.7 60.74 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.635 2.223 . . . . 63.35 111.977 -168.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -66.55 134.89 37.1 Favored 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 122.595 2.196 . . . . 71.13 112.762 -167.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -68.62 119.34 12.9 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 127.458 2.303 . . . . 72.35 109.121 -175.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 t -82.48 145.9 29.55 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 109.054 -0.721 . . . . 72.44 109.054 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -130.27 14.16 2.23 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 122.843 0.457 . . . . 62.12 110.833 -174.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -168.54 37.07 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.921 1.288 . . . . 74.3 109.156 171.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.05 13.94 54.55 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 125.017 1.294 . . . . 62.32 114.768 -175.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.53 111.21 22.94 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 126.769 2.028 . . . . 71.43 108.647 175.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.43 110.05 6.56 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.206 -1.035 . . . . 72.03 108.206 174.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.9 mm -61.5 138.47 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 126.121 1.768 . . . . 64.15 108.192 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.616 ' HB2' ' HB2' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -93.36 164.12 13.34 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.285 1.834 . . . . 54.41 108.736 170.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.6 t -124.38 143.95 35.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 125.278 1.431 . . . . 74.14 107.216 170.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -130.78 165.04 23.83 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 126.167 1.787 . . . . 75.02 108.657 166.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -137.13 84.04 2.04 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 124.664 1.185 . . . . 73.41 110.468 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.458 ' HB3' HD11 ' A' ' 7' ' ' ILE . . . -89.99 61.39 5.24 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 108.983 -0.747 . . . . 75.41 108.983 176.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.56 93.19 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.433 1.093 . . . . 60.02 108.27 175.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.45 85.87 0.25 Allowed Glycine 0 C--N 1.335 0.496 0 N-CA-C 108.767 -1.733 . . . . 75.24 108.767 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.7 m . . . . . 0 C--O 1.252 1.214 0 C-N-CA 123.89 0.876 . . . . 73.41 109.992 -169.085 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.696 0 N-CA-C 111.164 -0.774 . . . . 70.41 111.164 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -154.81 142.4 19.77 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 126.599 1.96 . . . . 54.23 106.243 166.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -117.72 112.92 21.1 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 107.976 -1.12 . . . . 70.23 107.976 -174.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 59.53 85.97 0.1 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 127.344 2.258 . . . . 74.4 110.874 171.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 m -121.56 106.51 11.44 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.353 1.461 . . . . 71.0 107.223 -169.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.6 mt -78.74 129.49 37.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 105.537 -2.023 . . . . 73.02 105.537 174.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.4 mt -107.2 140.89 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 106.672 -1.603 . . . . 73.34 106.672 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.0 mt -107.73 155.1 20.56 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 108.882 -0.785 . . . . 70.12 108.882 165.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.441 ' HB2' ' HB2' ' A' ' 81' ' ' ASN . 5.0 mtt180 -139.55 171.21 14.57 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 127.524 2.33 . . . . 73.41 109.143 -170.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 66.5 t30 53.11 34.62 17.7 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.408 1.483 . . . . 74.22 110.33 -176.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.7 mt -77.61 112.96 14.96 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 106.233 -1.766 . . . . 72.1 106.233 176.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.477 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 1.0 OUTLIER -59.91 144.85 85.53 Favored Pre-proline 0 CA--C 1.515 -0.387 0 N-CA-C 106.253 -1.758 . . . . 63.21 106.253 -179.535 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.488 ' HB2' HD13 ' A' ' 45' ' ' LEU . 35.1 Cg_endo -62.83 -30.27 77.45 Favored 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 121.609 1.54 . . . . 63.4 112.286 -175.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -74.82 -14.89 60.74 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 113.811 1.041 . . . . 73.2 113.811 175.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.0 m -76.54 160.25 29.63 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 121.377 -0.827 . . . . 73.13 109.335 172.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.13 172.87 12.39 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 127.053 2.141 . . . . 74.4 107.535 159.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -55.7 -32.72 63.55 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-O 118.371 -0.823 . . . . 75.32 109.552 170.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.82 -28.59 69.96 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 119.204 0.911 . . . . 62.54 110.625 -174.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.5 m -78.46 -58.77 3.08 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.02 0.928 . . . . 64.41 109.11 172.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.8 mt -59.01 -43.87 89.91 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.464 0 C-N-CA 123.781 0.832 . . . . 73.44 110.048 -171.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.1 mt -70.88 -14.77 62.51 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 124.154 0.982 . . . . 63.53 113.529 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.66 -17.88 50.39 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 118.93 -0.928 . . . . 32.55 112.815 176.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.72 -14.19 4.11 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.751 1.221 . . . . 41.22 113.339 -168.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.18 30.69 4.98 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 126.103 1.761 . . . . 71.51 109.503 -178.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -122.24 55.05 6.03 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 124.141 0.976 . . . . 53.31 112.777 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.504 ' HG2' ' CD1' ' A' ' 27' ' ' TYR . 84.3 Cg_endo -79.29 -24.64 6.42 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 122.222 1.948 . . . . 71.41 112.172 165.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.504 ' CD1' ' HG2' ' A' ' 26' ' ' PRO . 62.4 m-85 -122.09 -51.99 1.98 Allowed 'General case' 0 C--N 1.344 0.363 0 C-N-CA 124.529 1.132 . . . . 74.42 111.496 -169.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.86 117.81 35.08 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 107.648 -1.242 . . . . 44.23 107.648 175.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.8 t -130.85 77.04 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 107.307 -1.368 . . . . 75.21 107.307 -161.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -77.52 160.82 28.37 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.652 -0.704 . . . . 64.24 111.735 -168.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.98 24.46 1.29 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.599 1.96 . . . . 73.41 111.069 178.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.3 m 61.65 -49.43 0.14 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.589 2.356 . . . . 75.34 115.782 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 p -58.6 -26.45 63.68 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 121.468 1.94 . . . . 73.11 111.972 175.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -60.69 -24.68 65.82 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-O 118.249 -0.881 . . . . 73.43 111.514 174.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.6 t -104.97 94.55 3.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 C-N-CA 124.922 1.289 . . . . 64.4 108.89 -166.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.46 86.58 0.11 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.307 1.443 . . . . 73.3 110.174 174.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.9 t -92.63 89.57 2.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 126.123 1.769 . . . . 64.34 107.07 169.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.505 HD12 ' H ' ' A' ' 38' ' ' ILE . 0.6 OUTLIER -72.08 121.78 23.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 N-CA-C 107.61 -1.255 . . . . 72.14 107.61 175.658 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.28 155.26 36.86 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 120.707 -0.397 . . . . 73.2 110.816 170.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -70.58 165.78 22.03 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.774 1.229 . . . . 71.12 110.123 165.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -113.87 14.25 18.54 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 114.049 1.129 . . . . 74.21 114.049 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -127.75 -51.43 1.35 Allowed 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 119.138 0.881 . . . . 71.31 108.74 170.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.593 ' HB ' HD12 ' A' ' 45' ' ' LEU . 82.1 p -77.04 -19.66 56.9 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.855 0.317 . . . . 62.15 111.855 -176.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 62.47 15.72 8.05 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.755 2.022 . . . . 74.21 113.107 -171.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.593 HD12 ' HB ' ' A' ' 43' ' ' THR . 12.5 mt -94.54 -169.16 1.98 Allowed 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 125.641 1.576 . . . . 62.54 109.292 178.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -96.65 164.57 12.53 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.114 0.87 . . . . 74.42 110.146 175.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -83.3 13.5 4.25 Favored 'General case' 0 CA--C 1.555 1.172 0 N-CA-C 114.068 1.136 . . . . 74.2 114.068 -170.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.84 13.16 65.89 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 128.072 2.749 . . . . 71.43 116.294 -176.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -150.94 167.48 27.45 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 120.819 -1.4 . . . . 71.13 108.638 167.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.25 155.66 35.61 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 123.943 0.897 . . . . 63.41 109.436 173.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -116.94 120.43 38.4 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 125.679 1.592 . . . . 74.12 108.013 -169.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.456 ' C ' HE21 ' A' ' 53' ' ' GLN . 31.1 mt -82.18 141.42 15.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 C-N-CA 125.222 1.409 . . . . 24.02 107.717 167.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.456 HE21 ' C ' ' A' ' 52' ' ' ILE . 0.5 OUTLIER -129.59 79.39 1.91 Allowed 'General case' 0 C--O 1.239 0.551 0 C-N-CA 125.545 1.538 . . . . 74.03 107.24 170.817 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.0 mt -71.47 177.2 4.13 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.894 1.278 . . . . 75.21 109.768 165.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.12 155.25 3.71 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 108.608 -0.886 . . . . 73.31 108.608 159.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.8 p -58.02 -52.83 63.89 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.529 0.68 . . . . 74.31 111.429 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.6 mm -69.99 -40.58 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 122.926 0.491 . . . . 70.4 109.728 -176.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.96 -52.87 63.71 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.827 -0.805 . . . . 74.03 108.827 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.13 -53.28 28.63 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.591 1.156 . . . . 50.14 110.598 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.79 -39.96 95.5 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 112.703 0.631 . . . . 51.53 112.703 -175.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -66.09 -58.97 4.27 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.336 1.055 . . . . 74.3 109.315 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.485 HD12 ' CD2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -59.5 -41.98 91.13 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.258 1.023 . . . . 74.41 110.117 -171.186 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.3 tp -53.15 -45.91 68.62 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 121.913 -0.492 . . . . 72.13 110.722 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -69.59 -24.03 63.61 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 118.196 0.453 . . . . 64.0 111.963 -173.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.66 -60.29 2.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 106.51 -1.663 . . . . 70.1 106.51 164.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.485 ' CD2' HD12 ' A' ' 62' ' ' LEU . 2.8 mm? -60.47 -17.28 43.95 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 114.575 1.324 . . . . 64.14 114.575 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -100.68 13.34 35.13 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.397 0.999 . . . . 72.3 112.295 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -154.38 -14.43 0.13 Allowed 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 114.709 1.374 . . . . 64.01 114.709 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -162.7 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.709 2.004 . . . . 62.44 113.645 175.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -65.68 145.86 99.01 Favored Pre-proline 0 CA--C 1.54 0.573 0 N-CA-C 113.245 0.832 . . . . 63.11 113.245 169.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -66.71 160.99 43.77 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 123.266 2.644 . . . . 72.13 112.239 -170.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -67.33 158.71 55.7 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.548 2.165 . . . . 74.32 112.481 -174.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.2 tt -112.76 122.96 49.2 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 126.179 1.791 . . . . 72.51 107.896 -168.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.5 t -77.22 141.9 39.82 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.438 0.695 . . . . 42.32 110.347 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -130.14 14.47 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 124.607 1.163 . . . . 44.32 110.529 -178.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -167.7 24.65 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.6 1.16 . . . . 65.4 110.673 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.93 24.84 76.7 Favored Glycine 0 CA--C 1.532 1.109 0 O-C-N 121.297 -0.877 . . . . 73.33 114.851 -174.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.477 ' HE3' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -125.58 119.98 29.58 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 126.726 2.01 . . . . 71.43 109.741 174.264 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.7 m -78.05 116.1 18.27 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 119.58 1.082 . . . . 74.44 108.463 172.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.4 mm -58.91 160.45 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 124.025 0.93 . . . . 71.14 109.7 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.441 ' HB2' ' HB2' ' A' ' 9' ' ' ARG . 1.0 OUTLIER -126.27 155.56 41.71 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 125.298 1.439 . . . . 73.22 107.799 171.6 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.3 t -119.95 144.62 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 C-N-CA 125.496 1.518 . . . . 62.23 107.96 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -141.5 169.91 16.7 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 127.644 2.377 . . . . 73.41 107.623 176.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -126.09 158.42 35.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 106.351 -1.722 . . . . 74.41 106.351 169.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -145.92 73.56 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 105.984 -1.858 . . . . 72.24 105.984 168.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.3 96.1 9.41 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 106.729 -1.582 . . . . 70.23 106.729 -176.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.0 82.91 0.96 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 109.634 -1.386 . . . . 44.52 109.634 176.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.4 m . . . . . 0 C--O 1.246 0.891 0 CA-C-O 117.751 -1.119 . . . . 72.1 108.256 162.605 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.039 0 CA-C-O 119.139 -0.812 . . . . 73.23 111.29 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -70.28 65.67 0.28 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.751 2.02 . . . . 63.21 111.003 -177.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 55.8 mtt -61.61 149.22 39.92 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.061 -1.024 . . . . 65.13 108.505 167.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 43.88 84.08 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 128.537 2.735 . . . . 74.04 110.92 165.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.8 m -117.67 109.09 16.22 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 111.144 -2.753 . . . . 64.02 107.971 176.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mt -74.77 126.65 35.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 106.05 -1.833 . . . . 74.33 106.05 163.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.41 HD11 ' HB2' ' A' ' 85' ' ' ALA . 14.6 mt -98.79 135.89 31.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 N-CA-C 107.194 -1.41 . . . . 74.04 107.194 172.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.4 mt -87.99 160.03 18.05 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.707 0.803 . . . . 72.44 109.978 168.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -137.16 172.7 12.61 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.368 -0.832 . . . . 62.12 109.485 170.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 62.7 t30 58.39 46.01 15.94 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 125.761 1.624 . . . . 64.14 111.513 176.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 43.3 mt -85.6 119.44 25.94 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 106.859 -1.534 . . . . 73.22 106.859 171.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.485 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 5.2 m-20 -62.48 158.44 49.12 Favored Pre-proline 0 C--O 1.236 0.379 0 N-CA-C 108.817 -0.808 . . . . 74.12 108.817 163.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.477 ' HB2' HD22 ' A' ' 45' ' ' LEU . 33.3 Cg_endo -82.22 -15.64 8.87 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 124.211 3.274 . . . . 74.11 112.703 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.84 -14.21 61.46 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.364 1.866 . . . . 65.12 112.076 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.2 m -108.42 154.35 22.0 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.257 1.423 . . . . 74.13 108.007 165.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.1 t -123.56 -57.82 1.63 Allowed 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 106.497 -1.668 . . . . 70.43 106.497 173.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 27.5 ttm -157.71 -56.38 0.08 Allowed 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 123.087 0.555 . . . . 63.2 110.557 -175.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.54 -23.06 66.17 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.314 1.046 . . . . 64.11 112.824 -173.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 t -95.21 24.76 4.73 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.305 1.842 . . . . 74.4 110.216 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mt -137.38 -48.69 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 124.908 1.283 . . . . 71.3 107.827 176.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -52.75 -44.32 66.37 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-O 118.777 -0.63 . . . . 73.32 112.45 -168.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.64 24.89 27.42 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 124.967 1.27 . . . . 73.01 112.698 -174.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.95 -40.32 0.44 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.994 1.317 . . . . 70.4 109.882 178.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.6 tp -81.29 19.4 0.96 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.818 1.647 . . . . 73.33 110.994 173.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.68 61.9 1.27 Allowed Pre-proline 0 CA--C 1.541 0.603 0 C-N-CA 124.243 1.017 . . . . 54.13 112.158 175.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -85.68 -18.13 3.91 Favored 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 123.155 2.57 . . . . 73.41 113.841 163.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.454 ' CE1' HD21 ' A' ' 69' ' ' LEU . 1.1 m-85 -124.15 -65.01 1.09 Allowed 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 121.214 1.824 . . . . 73.44 110.219 -177.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.89 114.52 28.78 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 125.585 1.554 . . . . 70.23 108.153 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.5 t -84.86 105.44 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 N-CA-C 106.908 -1.516 . . . . 72.1 106.908 173.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.6 mt -78.6 163.75 25.24 Favored 'General case' 0 N--CA 1.464 0.246 0 O-C-N 121.325 -0.86 . . . . 64.31 111.801 -177.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.74 24.45 10.57 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.373 1.069 . . . . 54.53 112.015 -177.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.4 t 73.07 -56.4 0.66 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.587 1.555 . . . . 71.31 113.007 164.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 p -60.71 -30.68 70.1 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.529 1.531 . . . . 72.4 111.927 174.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -51.05 -31.99 20.39 Favored 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 125.318 1.447 . . . . 72.41 110.533 171.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.5 t -94.81 101.53 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 C-N-CA 124.553 1.141 . . . . 64.42 108.495 -165.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.0 111.96 19.75 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 125.872 1.669 . . . . 70.21 108.591 170.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.8 t -113.36 102.2 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 127.462 2.305 . . . . 64.41 107.693 171.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 49.4 mt -62.97 138.66 22.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 107.282 -1.377 . . . . 54.22 107.282 164.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 46' ' ' ASN . 43.7 mttt -126.81 149.27 49.78 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 107.781 -1.192 . . . . 71.4 107.781 178.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -44.39 -86.77 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.555 1.542 . . . . 71.4 113.486 -177.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.6 mttp 172.41 -55.77 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 127.828 2.451 . . . . 64.2 105.461 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.9 -38.54 8.19 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 113.888 -1.506 . . . . 54.3 109.715 -166.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.5 p -77.98 -14.06 59.66 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 120.875 0.369 . . . . 63.13 111.961 -171.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 56.3 14.52 1.6 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 127.186 2.195 . . . . 73.13 113.262 -167.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.477 HD22 ' HB2' ' A' ' 13' ' ' PRO . 27.4 mt -89.93 179.5 5.95 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.989 1.716 . . . . 73.02 111.36 174.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.456 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 8.2 p30 -114.65 165.11 13.14 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.631 1.572 . . . . 72.14 110.916 -174.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -79.29 -14.8 58.79 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.04 1.336 . . . . 53.54 112.446 -175.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.4 12.93 34.38 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 125.526 1.536 . . . . 53.42 114.73 174.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -148.96 159.33 44.31 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 125.352 1.461 . . . . 63.11 108.136 173.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -139.28 165.65 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 123.945 0.898 . . . . 43.33 108.747 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -121.34 137.94 54.48 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.408 -1.701 . . . . 74.31 106.408 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.7 mt -139.82 122.1 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 127.21 2.204 . . . . 72.41 107.852 -172.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.9 152.13 48.88 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 119.079 0.854 . . . . 70.33 111.222 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.2 mt -137.13 -174.49 3.75 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.513 2.325 . . . . 71.31 109.254 -168.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.74 155.74 15.33 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.38 1.072 . . . . 73.23 109.795 165.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.1 p -61.93 -49.36 76.45 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.734 0.778 . . . . 71.42 112.742 -169.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 74.2 mt -67.29 -46.65 83.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 124.128 0.971 . . . . 63.22 109.816 174.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.08 -48.33 82.18 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 124.278 1.031 . . . . 73.43 110.959 -171.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.99 -58.76 4.79 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.943 1.297 . . . . 74.2 110.071 176.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.35 -41.58 96.69 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.875 0.87 . . . . 72.24 111.492 -174.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -58.74 -57.65 12.08 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.504 -0.747 . . . . 73.02 109.842 176.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.431 HD12 ' CD2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -62.24 -42.04 98.96 Favored 'General case' 0 N--CA 1.455 -0.208 0 O-C-N 123.644 0.59 . . . . 72.02 109.593 -173.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.7 tp -53.2 -44.32 67.87 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 122.676 0.391 . . . . 71.02 110.849 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -65.92 -28.3 68.83 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 117.842 0.292 . . . . 73.32 111.553 -176.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 74.5 mt -60.59 -55.6 23.37 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 N-CA-C 108.102 -1.073 . . . . 65.01 108.102 170.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.431 ' CD2' HD12 ' A' ' 62' ' ' LEU . 3.6 mm? -56.11 -16.04 4.55 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.482 1.113 . . . . 63.42 113.86 176.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -107.8 20.71 18.43 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.409 1.483 . . . . 71.03 111.967 178.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -139.98 -30.7 0.68 Allowed 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.755 1.222 . . . . 42.1 113.868 175.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.454 HD21 ' CE1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -92.97 -162.15 0.91 Allowed 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 114.029 1.122 . . . . 74.2 114.029 -164.635 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -76.89 152.04 82.43 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 126.961 2.104 . . . . 73.1 112.985 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.16 161.04 35.82 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 123.612 2.875 . . . . 72.13 113.391 -165.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -73.66 145.12 36.56 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 122.852 2.368 . . . . 64.21 113.032 -172.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.52 118.23 5.81 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 126.676 1.99 . . . . 71.0 109.331 168.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.17 150.34 31.72 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 124.346 1.058 . . . . 73.32 108.289 170.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.69 14.16 4.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 124.125 0.97 . . . . 70.1 110.91 -176.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -174.53 34.52 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.901 1.28 . . . . 65.1 110.464 -177.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.2 14.84 55.27 Favored Glycine 0 CA--C 1.538 1.484 0 O-C-N 120.303 -1.498 . . . . 33.34 114.896 -174.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.485 ' HE3' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -111.28 110.95 21.68 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 126.507 1.923 . . . . 64.31 109.911 172.348 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.58 119.65 19.07 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.055 -0.72 . . . . 65.24 109.055 172.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 22.9 mm -69.19 150.59 10.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 123.637 0.775 . . . . 72.24 109.775 -177.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.44 172.38 6.92 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.017 0.927 . . . . 61.43 112.115 174.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.0 t -126.58 152.77 34.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 125.894 1.678 . . . . 50.51 107.807 -174.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -155.64 172.72 17.82 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 127.808 2.443 . . . . 71.42 107.339 171.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -140.86 92.8 2.53 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 123.353 0.661 . . . . 73.42 109.238 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.41 ' HB2' HD11 ' A' ' 7' ' ' ILE . . . -82.47 68.97 9.13 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 122.348 1.07 . . . . 65.2 108.294 168.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -73.87 83.28 1.68 Allowed 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 106.544 -1.65 . . . . 72.3 106.544 167.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.24 -77.74 0.27 Allowed Glycine 0 C--N 1.335 0.474 0 N-CA-C 107.832 -2.107 . . . . 73.24 107.832 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.044 0 C-N-CA 125.344 1.458 . . . . 63.14 113.086 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.881 0 CA-C-O 118.93 -0.928 . . . . 63.31 111.32 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 51.63 44.14 29.36 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.767 1.627 . . . . 74.2 113.428 -176.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.09 162.67 13.84 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.897 1.679 . . . . 61.43 107.432 162.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.272 0.0 OUTLIER 43.03 84.03 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.794 0 C-N-CA 128.384 2.674 . . . . 61.04 111.884 160.365 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.5 m -138.87 123.49 18.52 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 112.456 -2.156 . . . . 63.41 107.814 -172.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.9 mt -95.79 110.49 24.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 N-CA-C 105.033 -2.21 . . . . 70.0 105.033 175.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.0 mp -85.71 156.28 3.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.55 -0.907 . . . . 75.1 108.55 173.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.8 mp -122.93 156.08 35.42 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 125.645 1.578 . . . . 64.44 107.254 174.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -140.76 171.53 13.97 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.33 0.968 . . . . 64.54 109.928 175.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.3 t30 61.41 37.39 16.83 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.49 1.516 . . . . 72.42 111.776 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.84 131.25 39.6 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 105.067 -2.197 . . . . 73.54 105.067 169.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.45 ' HB2' ' HE2' ' A' ' 78' ' ' LYS . 1.4 m-20 -70.26 146.73 94.84 Favored Pre-proline 0 N--CA 1.471 0.594 0 CA-C-O 116.901 -1.524 . . . . 70.14 107.437 172.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -62.61 -18.69 65.06 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 123.46 2.773 . . . . 65.14 113.274 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -60.66 -39.19 87.47 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.497 1.119 . . . . 73.32 112.599 173.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.1 p -70.66 158.68 35.79 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.045 0.384 . . . . 72.22 111.824 -170.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.0 p -107.23 -86.13 0.5 Allowed 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 107.603 -1.258 . . . . 65.52 107.603 166.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 37.6 ttp -161.13 -68.48 0.06 Allowed 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 106.476 -1.676 . . . . 62.32 106.476 -164.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.46 -29.58 70.27 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 118.067 0.394 . . . . 72.12 111.019 -174.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 p -64.73 -24.41 67.56 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.259 1.823 . . . . 65.53 113.457 172.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.4 mt -85.9 -47.28 16.66 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.271 0 C-N-CA 124.701 1.2 . . . . 73.53 109.119 171.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.83 -36.39 64.96 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 119.087 0.858 . . . . 70.24 110.776 -175.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.82 -14.18 64.98 Favored Glycine 0 CA--C 1.534 1.233 0 CA-C-O 117.941 -1.477 . . . . 71.5 115.088 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.59 14.95 2.54 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.868 1.834 . . . . 63.23 113.392 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 tp -131.76 21.22 4.61 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.163 0.985 . . . . 73.54 111.107 172.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.435 ' HB1' HG22 ' A' ' 29' ' ' VAL . . . -126.87 58.88 31.63 Favored Pre-proline 0 CA--C 1.541 0.603 0 O-C-N 120.598 -1.314 . . . . 71.12 112.273 -174.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.92 -37.78 2.64 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 122.278 1.985 . . . . 73.31 113.306 178.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -123.98 -25.26 4.25 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.906 0.776 . . . . 74.03 112.737 -171.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.67 109.03 10.97 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 108.291 -1.003 . . . . 70.41 108.291 172.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.435 HG22 ' HB1' ' A' ' 25' ' ' ALA . 44.5 t -97.21 108.69 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 107.294 -1.373 . . . . 74.24 107.294 171.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -80.87 161.46 24.4 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 122.872 0.469 . . . . 72.54 110.093 172.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 t -74.05 36.47 0.1 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.001 1.721 . . . . 74.33 112.666 176.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t 59.97 -73.72 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.471 1.908 . . . . 70.14 111.929 -172.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.7 t -55.7 -28.53 56.19 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 126.487 1.915 . . . . 73.14 113.984 -172.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -54.4 -29.41 48.86 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 124.361 1.064 . . . . 71.22 111.357 172.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.2 t -81.39 93.68 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 C-N-CA 125.413 1.485 . . . . 72.24 108.281 168.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.05 114.33 2.53 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 120.819 -1.175 . . . . 72.11 108.819 166.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.0 t -112.68 126.83 70.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 125.082 1.353 . . . . 75.51 107.894 164.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.9 mt -87.25 127.74 40.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 N-CA-C 106.118 -1.808 . . . . 73.12 106.118 165.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -98.81 147.24 25.12 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 106.703 -1.591 . . . . 64.43 106.703 166.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.98 -24.73 67.83 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.461 0.648 . . . . 74.53 110.583 175.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt 74.55 -56.99 0.62 Allowed 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 129.09 2.956 . . . . 63.54 111.42 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -61.77 -36.42 80.99 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 119.511 1.05 . . . . 74.23 111.483 -172.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.5 p -94.28 -12.84 27.29 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 126.035 1.734 . . . . 55.0 111.88 -176.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 70.92 -15.15 0.41 Allowed 'General case' 0 C--N 1.344 0.358 0 C-N-CA 128.628 2.771 . . . . 73.41 114.318 -163.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.1 mt -69.68 172.01 8.15 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 124.288 1.035 . . . . 72.12 110.835 -173.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -101.25 170.13 8.45 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.434 1.093 . . . . 63.12 112.051 170.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -90.49 -14.04 33.52 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.784 0.834 . . . . 75.43 112.612 -176.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.0 13.8 22.51 Favored Glycine 0 CA--C 1.528 0.845 0 CA-C-N 118.955 0.798 . . . . 74.21 113.886 164.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -149.71 170.13 19.42 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 126.602 1.961 . . . . 63.12 107.448 177.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.31 173.42 16.19 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.283 -0.885 . . . . 55.21 108.949 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -139.75 104.89 5.01 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 124.336 1.054 . . . . 74.23 108.303 -172.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.8 mt -70.35 141.78 16.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 120.02 1.282 . . . . 74.34 109.769 165.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -116.23 137.7 51.92 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 107.837 -1.171 . . . . 75.3 107.837 162.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.5 mt -142.17 173.51 11.45 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.44 1.896 . . . . 73.24 108.393 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.15 157.77 2.48 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.98 0.912 . . . . 63.33 110.24 167.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 m -57.42 -57.39 12.87 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.018 0.927 . . . . 63.41 110.852 -171.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.2 mt -70.28 -41.68 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-O 118.335 -0.841 . . . . 72.41 110.317 177.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -57.78 -49.8 75.39 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 119.444 1.02 . . . . 72.31 111.639 -176.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.29 -55.11 11.45 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.151 0.981 . . . . 74.02 109.952 174.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.4 -39.45 85.55 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 112.998 0.74 . . . . 65.21 112.998 -175.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -64.66 -62.25 1.7 Allowed 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 124.108 0.963 . . . . 63.21 109.166 178.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -39.52 75.3 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.967 0.907 . . . . 74.03 109.704 -170.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 tp -52.19 -49.5 63.75 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 119.279 -0.391 . . . . 70.21 110.658 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -61.64 -31.4 71.49 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.367 0.667 . . . . 70.34 111.287 -176.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.6 mt -59.98 -59.01 4.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 106.92 -1.511 . . . . 73.32 106.92 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -58.0 -32.18 67.66 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.185 0.994 . . . . 71.33 111.92 176.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -81.02 13.59 2.66 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.881 0.872 . . . . 71.34 112.842 -177.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -136.06 -37.82 0.71 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.66 1.184 . . . . 71.12 112.3 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 pp -74.38 -175.03 2.19 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.562 0.619 . . . . 74.35 111.076 171.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -48.26 160.73 0.41 Allowed Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 126.241 1.816 . . . . 65.44 112.985 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -65.6 168.34 15.06 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.392 2.061 . . . . 44.21 113.312 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.51 167.78 26.12 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.406 2.737 . . . . 52.52 112.84 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.451 HD23 ' H ' ' A' ' 74' ' ' THR . 0.2 OUTLIER -84.81 -179.09 7.02 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 127.46 2.304 . . . . 72.32 111.031 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.451 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -143.18 160.7 39.94 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 128.734 2.814 . . . . 74.13 105.38 176.287 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.2 mp -134.64 12.59 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 C-N-CA 123.553 0.741 . . . . 54.32 110.163 174.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.504 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 0.6 OUTLIER -174.87 34.67 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 O-C-N 120.459 -1.401 . . . . 72.2 109.571 -165.298 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.12 14.65 47.61 Favored Glycine 0 CA--C 1.535 1.334 0 O-C-N 120.764 -1.21 . . . . 44.13 115.433 -177.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.504 ' HE3' ' HB2' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -112.27 99.81 8.32 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 126.83 2.052 . . . . 72.12 110.214 177.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 m -63.96 116.03 5.46 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.354 -0.98 . . . . 63.51 108.354 174.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.7 mm -62.37 157.51 3.69 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 N-CA-C 108.439 -0.948 . . . . 61.4 108.439 -178.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -116.51 162.89 16.9 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 123.501 0.72 . . . . 52.33 109.781 168.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 23.2 t -124.67 143.53 37.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 125.735 1.614 . . . . 71.42 106.69 -176.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -142.26 167.08 22.96 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 125.87 1.668 . . . . 73.31 108.85 177.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -146.91 99.32 3.17 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 124.153 0.981 . . . . 72.22 110.207 -174.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.34 78.73 1.77 Allowed 'General case' 0 C--O 1.237 0.417 0 N-CA-C 107.257 -1.386 . . . . 52.13 107.257 174.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -87.06 96.88 10.45 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 107.957 -1.127 . . . . 71.1 107.957 -176.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -51.95 104.81 0.18 Allowed Glycine 0 CA--C 1.527 0.785 0 N-CA-C 109.809 -1.316 . . . . 52.21 109.809 163.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.253 1.272 0 N-CA-C 104.859 -2.274 . . . . 62.4 104.859 161.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.341 0 N-CA-C 109.284 -1.527 . . . . 60.2 109.284 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -141.77 -60.04 0.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 107.321 -1.363 . . . . 61.43 107.321 172.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.27 24.7 ptp 53.42 -164.29 0.09 Allowed 'General case' 0 CA--C 1.541 0.611 0 O-C-N 124.543 1.152 . . . . 75.4 110.924 175.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 50.97 89.56 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 128.114 2.566 . . . . 61.22 114.033 161.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -120.96 138.2 54.25 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 113.871 -1.513 . . . . 71.12 107.874 175.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.3 mt -115.52 116.8 53.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 105.001 -2.222 . . . . 64.44 105.001 170.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.1 mt -99.22 135.51 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 106.707 -1.59 . . . . 74.23 106.707 -175.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.6 mt -104.76 155.71 18.65 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 124.0 0.92 . . . . 73.43 109.403 174.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.43 HH11 ' HB3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -140.45 179.78 6.47 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.345 1.458 . . . . 74.13 107.903 170.163 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.0 t30 53.57 39.66 30.38 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 125.1 1.36 . . . . 71.4 111.701 -174.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 49' ' ' PHE . 0.8 OUTLIER -73.27 130.16 39.6 Favored 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 104.377 -2.453 . . . . 72.34 104.377 162.852 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.417 ' H ' ' HG3' ' A' ' 78' ' ' LYS . 4.1 m-20 -68.35 146.7 98.03 Favored Pre-proline 0 C--O 1.241 0.655 0 N-CA-C 106.052 -1.832 . . . . 54.0 106.052 164.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -73.28 -20.92 20.66 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 122.641 2.228 . . . . 74.54 112.067 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -78.79 13.56 1.65 Allowed 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.174 0.897 . . . . 62.5 112.934 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -122.46 177.9 5.2 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.293 1.837 . . . . 64.44 111.21 170.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.55 -85.87 0.57 Allowed 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.232 1.413 . . . . 73.54 108.174 -177.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.1 ptp -156.68 -50.74 0.08 Allowed 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 119.656 1.116 . . . . 74.1 109.218 174.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -56.49 -33.53 66.08 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.297 1.039 . . . . 61.54 110.201 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -30.65 68.32 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.955 2.102 . . . . 52.21 113.197 177.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.463 HG23 HD13 ' A' ' 75' ' ' ILE . 70.1 mt -100.97 -51.65 9.34 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 C-N-CA 127.706 2.403 . . . . 73.54 107.478 -171.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.412 HD22 ' HB2' ' A' ' 30' ' ' LEU . 42.1 mt -51.0 -37.04 42.64 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 125.649 1.58 . . . . 75.23 112.275 -175.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.79 -13.94 72.42 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-O 118.559 -1.134 . . . . 40.43 114.104 -178.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -133.52 14.08 4.1 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.746 1.273 . . . . 71.22 111.607 178.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.4 tp -122.65 30.92 6.27 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 124.78 1.232 . . . . 75.2 107.778 174.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.28 54.42 8.21 Favored Pre-proline 0 CA--C 1.536 0.405 0 C-N-CA 124.418 1.087 . . . . 74.14 113.032 -176.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -71.78 -18.25 28.57 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 121.803 1.668 . . . . 64.5 113.536 173.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -142.06 -24.04 0.68 Allowed 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 120.099 1.318 . . . . 75.41 113.915 -175.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -134.7 138.87 44.78 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 125.028 1.331 . . . . 73.43 107.455 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 t -129.06 94.99 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 105.888 -1.893 . . . . 72.34 105.888 -168.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.412 ' HB2' HD22 ' A' ' 21' ' ' LEU . 40.5 mt -89.04 160.18 17.21 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.954 0.902 . . . . 75.4 110.834 -165.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 m -98.68 23.54 8.57 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.521 -0.737 . . . . 54.5 112.758 -166.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 m 58.18 -45.8 0.05 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 127.585 2.354 . . . . 75.14 115.122 -167.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 p -58.56 -29.65 66.54 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 120.785 1.629 . . . . 74.41 111.95 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -57.74 -23.72 53.39 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 125.554 1.542 . . . . 74.3 112.65 173.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.6 t -108.86 99.09 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 123.909 0.884 . . . . 72.14 109.141 -164.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -64.38 104.24 0.75 Allowed 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.798 0.839 . . . . 75.43 109.692 172.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.3 t -110.75 91.45 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.12 0 C-N-CA 126.465 1.906 . . . . 54.21 108.044 172.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.9 mt -65.46 144.95 14.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 N-CA-C 106.377 -1.712 . . . . 72.45 106.377 164.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -123.03 159.46 28.37 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 124.328 1.051 . . . . 75.25 109.657 169.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.32 161.34 25.26 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.833 -1.076 . . . . 74.43 109.949 174.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -96.18 -19.9 19.0 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.353 0.871 . . . . 75.12 113.353 176.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -102.88 -36.52 8.2 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 117.972 -1.013 . . . . 54.41 108.938 -165.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.47 HG23 ' H ' ' A' ' 45' ' ' LEU . 13.7 t -103.43 -14.49 16.22 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 118.547 0.612 . . . . 64.45 111.419 173.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.6 mm-40 70.49 -12.73 0.51 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.253 1.421 . . . . 75.52 114.084 -168.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.47 ' H ' HG23 ' A' ' 43' ' ' THR . 84.9 mt -56.44 150.67 14.61 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 120.146 1.339 . . . . 63.13 111.739 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.448 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 8.8 p30 -63.54 160.95 15.49 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 108.918 -0.771 . . . . 61.11 108.918 170.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -76.26 -12.83 60.15 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.545 1.313 . . . . 73.43 114.545 -171.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.76 13.3 44.21 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 125.954 1.74 . . . . 71.4 112.641 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.463 ' HA ' HD23 ' A' ' 11' ' ' LEU . 21.7 p90 -152.69 165.75 34.3 Favored 'General case' 0 C--O 1.241 0.654 0 C-N-CA 125.948 1.699 . . . . 75.24 108.562 177.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -151.61 167.99 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 124.116 0.966 . . . . 75.12 109.497 175.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -131.62 108.05 9.25 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 106.943 -1.503 . . . . 72.12 106.943 -176.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.3 mt -73.43 133.46 31.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 N-CA-C 107.107 -1.442 . . . . 75.3 107.107 169.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.88 91.0 3.49 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 104.582 -2.377 . . . . 72.12 104.582 163.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.1 mt -81.25 178.85 8.13 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.028 -1.101 . . . . 75.22 108.028 163.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 t -71.7 173.24 8.41 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.723 -0.611 . . . . 62.21 109.53 164.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.9 p -58.43 -66.97 0.4 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.335 1.054 . . . . 73.54 110.936 -175.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.0 mm -63.92 -39.01 83.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 123.787 0.835 . . . . 60.42 109.305 -176.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.58 -52.2 64.56 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.555 1.142 . . . . 64.33 109.82 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.43 -50.95 69.48 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.391 1.077 . . . . 44.41 109.891 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.14 -52.1 66.65 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.779 0.831 . . . . 55.0 110.87 -174.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -59.56 -55.87 29.05 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 118.63 -0.7 . . . . 75.4 109.35 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -53.1 -48.06 68.1 Favored 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 123.772 0.829 . . . . 60.14 110.687 -174.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 tp -56.36 -55.25 35.85 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 122.899 0.48 . . . . 74.53 109.801 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -64.49 -33.99 77.18 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.266 0.626 . . . . 71.24 110.958 -174.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 36.3 mt -59.53 -63.38 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 123.755 0.822 . . . . 72.22 109.926 169.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.3 mt -54.08 -37.57 64.38 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.77 1.168 . . . . 74.21 112.527 -176.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -78.02 14.59 1.09 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.881 0.872 . . . . 70.54 112.491 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -117.64 -16.52 10.08 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 117.876 -1.059 . . . . 73.53 113.359 172.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 pp -127.2 179.99 5.16 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.552 1.141 . . . . 72.2 111.463 -159.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -45.41 144.71 2.24 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 124.608 1.163 . . . . 71.11 112.827 -177.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.12 160.73 47.47 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.251 1.967 . . . . 62.2 113.1 -172.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -60.73 139.67 86.76 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 123.679 2.919 . . . . 73.52 113.336 -174.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -73.7 123.46 24.13 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 127.635 2.374 . . . . 74.34 109.637 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.49 142.27 31.04 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.223 1.009 . . . . 75.31 110.297 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.463 HD13 HG23 ' A' ' 20' ' ' ILE . 0.2 OUTLIER -136.2 51.31 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 124.237 1.015 . . . . 72.5 109.816 177.574 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 t0 173.84 17.58 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 128.992 2.917 . . . . 63.12 111.316 162.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.08 33.75 62.1 Favored Glycine 0 CA--C 1.527 0.833 0 O-C-N 121.353 -0.842 . . . . 74.34 111.781 -165.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.468 ' HE3' HD11 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -126.56 96.03 4.54 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 120.746 -1.443 . . . . 71.34 111.76 171.13 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.7 m -59.43 111.78 1.51 Allowed 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.301 -1.499 . . . . 62.31 107.83 173.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.468 HD11 ' HE3' ' A' ' 78' ' ' LYS . 43.7 mm -64.34 144.27 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 N-CA-C 108.193 -1.04 . . . . 74.51 108.193 -178.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.5 162.69 13.54 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 123.016 0.527 . . . . 75.53 110.352 173.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.3 t -125.0 148.19 29.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 107.111 -1.44 . . . . 71.4 107.111 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -151.47 169.43 22.06 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 128.822 2.849 . . . . 74.52 107.209 169.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -130.18 139.81 50.81 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 126.586 1.955 . . . . 71.24 106.357 178.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -140.21 86.31 2.07 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 107.509 -1.293 . . . . 71.24 107.509 171.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.55 89.54 7.88 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 106.949 -1.501 . . . . 74.41 106.949 -175.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.36 98.58 0.67 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 109.657 -1.377 . . . . 72.34 109.657 172.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 C--O 1.253 1.242 0 N-CA-C 103.388 -2.819 . . . . 74.4 103.388 150.189 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.946 0 CA-C-O 118.706 -1.052 . . . . 72.23 113.343 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -63.01 142.69 58.28 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 119.71 1.755 . . . . 64.02 109.531 177.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.7 mtp -69.52 -171.84 0.41 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 125.242 1.417 . . . . 72.05 111.717 174.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -94.89 101.34 13.12 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 127.454 2.302 . . . . 62.34 104.799 -177.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.0 m -115.05 104.44 11.89 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.491 -1.67 . . . . 51.34 106.491 173.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.1 mt -73.73 131.13 35.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 105.202 -2.147 . . . . 74.03 105.202 167.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.3 mt -111.07 147.58 14.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 106.817 -1.549 . . . . 74.02 106.817 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -110.3 155.67 21.77 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.624 1.169 . . . . 74.05 107.983 170.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.1 mtp85 -139.54 174.49 10.46 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.317 1.047 . . . . 73.01 110.388 173.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 53.4 t30 61.42 34.15 18.35 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.354 1.862 . . . . 54.11 112.16 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 49' ' ' PHE . 0.6 OUTLIER -72.28 129.0 37.39 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 106.393 -1.706 . . . . 74.24 106.393 170.094 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.405 ' HB2' ' HE2' ' A' ' 78' ' ' LYS . 2.7 m-20 -65.22 154.11 87.97 Favored Pre-proline 0 N--CA 1.47 0.56 0 N-CA-C 106.752 -1.573 . . . . 72.33 106.752 165.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -60.63 -23.63 76.31 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 123.501 2.801 . . . . 65.43 112.804 172.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 58.5 m170 -60.71 -27.93 68.26 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.545 1.066 . . . . 73.14 112.742 170.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 m -63.04 147.57 50.31 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 108.332 -0.988 . . . . 63.14 108.332 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.411 HG23 ' H ' ' A' ' 17' ' ' MET 0.255 2.5 t -129.44 -85.83 0.54 Allowed 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 107.18 -1.415 . . . . 73.02 107.18 -178.041 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.411 ' H ' HG23 ' A' ' 16' ' ' THR . 53.7 ttp -158.28 -66.65 0.09 Allowed 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 125.595 1.558 . . . . 72.43 108.046 175.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -61.71 -31.11 71.25 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 125.706 1.602 . . . . 74.01 111.61 -174.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.5 t -55.0 -46.55 75.18 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.639 1.576 . . . . 32.44 110.061 171.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.6 mt -71.89 -47.61 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 124.924 1.29 . . . . 74.33 107.796 -176.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.85 -15.87 45.76 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 118.632 -0.699 . . . . 73.12 111.919 176.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.75 -21.05 69.66 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-O 118.36 -1.245 . . . . 63.02 113.563 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -128.99 -39.64 1.56 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.804 1.302 . . . . 65.01 112.674 -173.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.5 tp -86.53 30.67 0.7 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.583 1.953 . . . . 64.23 109.844 176.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.476 ' HB1' HG22 ' A' ' 29' ' ' VAL . . . -114.67 53.47 0.72 Allowed Pre-proline 0 CA--C 1.551 1.007 0 O-C-N 121.172 -0.955 . . . . 52.32 112.109 166.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -75.28 -30.4 6.82 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.602 2.201 . . . . 71.32 113.821 171.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -139.73 -24.87 0.83 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.611 1.096 . . . . 74.05 112.861 -171.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.48 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -138.16 114.56 10.34 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 107.709 -1.219 . . . . 65.25 107.709 -171.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.476 HG22 ' HB1' ' A' ' 25' ' ' ALA . 6.9 t -131.02 87.6 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 108.1 -1.074 . . . . 70.14 108.1 -161.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -62.21 165.82 5.46 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.525 -0.761 . . . . 70.24 111.851 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 57.7 m -77.66 35.5 0.19 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.869 1.268 . . . . 62.03 111.505 168.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.1 m 63.63 -70.64 0.07 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.863 2.065 . . . . 65.32 112.275 -178.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -24.72 67.63 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 120.348 1.431 . . . . 22.31 112.688 -168.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -50.21 -29.77 10.1 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 124.988 1.315 . . . . 71.05 111.496 169.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.4 t -81.0 91.95 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 C-N-CA 124.853 1.261 . . . . 65.33 107.668 170.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.94 111.66 2.59 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 120.784 -1.197 . . . . 51.21 108.333 169.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -109.04 119.21 58.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 125.776 1.63 . . . . 72.31 107.9 164.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.6 mt -77.17 133.49 30.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 N-CA-C 106.481 -1.674 . . . . 72.45 106.481 165.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.72 142.56 43.9 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.45 1.1 . . . . 62.04 108.463 175.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -54.36 162.74 1.01 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.089 1.356 . . . . 65.45 111.256 168.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.97 -21.78 12.68 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.113 0.965 . . . . 73.21 111.465 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.72 -62.3 1.42 Allowed 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.659 -1.237 . . . . 64.44 107.659 173.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.2 p -83.41 -14.17 53.24 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 112.141 0.423 . . . . 73.24 112.141 -163.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 72.72 -13.77 0.63 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.758 2.023 . . . . 73.34 113.431 -177.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.38 -179.07 0.14 Allowed 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 128.276 2.63 . . . . 74.05 111.391 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -102.12 173.82 6.21 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.946 0.898 . . . . 73.01 110.094 175.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.6 mmp_? -88.05 -13.74 40.74 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 115.179 1.548 . . . . 71.25 115.179 -175.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.89 13.27 22.24 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 127.237 2.351 . . . . 62.32 114.129 171.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.446 ' HA ' HD23 ' A' ' 11' ' ' LEU . 14.1 p90 -152.96 173.33 15.53 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 127.392 2.277 . . . . 54.54 107.448 176.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -150.53 168.65 23.61 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 124.628 1.171 . . . . 63.12 108.915 175.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -135.46 110.56 8.89 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.339 1.055 . . . . 64.24 108.612 -172.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.3 mt -75.24 140.74 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 120.046 1.293 . . . . 73.14 108.994 168.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -121.54 112.73 18.85 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 123.828 0.851 . . . . 70.33 109.055 169.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.4 mt -121.37 178.44 4.79 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 125.061 1.345 . . . . 72.44 110.835 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.39 148.76 4.66 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.942 0.897 . . . . 72.14 109.371 156.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.7 m -48.39 -67.07 0.3 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.788 1.635 . . . . 74.44 110.898 171.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.6 mt -69.22 -37.05 75.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 N-CA-C 109.177 -0.675 . . . . 73.25 109.177 -169.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.44 -55.7 31.33 Favored 'General case' 0 CA--C 1.523 -0.093 0 C-N-CA 123.197 0.599 . . . . 72.42 110.515 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.79 -54.96 15.99 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.61 0.764 . . . . 73.23 110.83 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.46 -33.43 75.91 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.278 0.631 . . . . 52.52 112.599 -174.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -68.48 -56.88 6.87 Favored 'General case' 0 CA--C 1.515 -0.371 0 C-N-CA 123.42 0.688 . . . . 72.25 111.045 174.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -59.26 -44.8 92.39 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 123.634 0.774 . . . . 70.44 110.014 -171.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.92 -38.77 73.32 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 120.895 -0.322 . . . . 72.35 110.661 -175.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -62.4 -31.11 71.73 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 111.886 0.328 . . . . 74.33 111.886 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.0 mt -63.73 -54.18 35.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 N-CA-C 106.945 -1.502 . . . . 74.34 106.945 177.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.693 ' HA ' HD21 ' A' ' 69' ' ' LEU . 2.4 mm? -55.21 -13.44 1.28 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.945 2.098 . . . . 73.32 114.45 178.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -97.54 14.47 26.43 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.911 1.232 . . . . 61.32 113.07 175.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.23 -33.01 1.53 Allowed 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.854 1.798 . . . . 73.44 115.854 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.693 HD21 ' HA ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -58.84 175.77 0.25 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.789 1.236 . . . . 42.41 113.502 167.387 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -55.09 155.2 9.04 Favored Pre-proline 0 CA--C 1.542 0.639 0 C-N-CA 124.625 1.17 . . . . 74.35 111.079 162.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -63.53 165.72 17.21 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.815 3.01 . . . . 72.25 114.54 -175.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -68.28 143.87 60.19 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 123.5 2.8 . . . . 54.11 113.167 -173.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.3 120.7 24.14 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 124.955 1.302 . . . . 61.05 109.76 -176.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.62 153.82 42.48 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.862 0.865 . . . . 73.22 109.239 176.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -131.77 13.21 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 123.361 0.664 . . . . 63.35 111.506 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.445 ' CB ' ' HE3' ' A' ' 78' ' ' LYS . 1.5 t70 -171.21 32.84 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.252 1.021 . . . . 65.15 109.718 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.33 16.47 71.35 Favored Glycine 0 CA--C 1.534 1.237 0 O-C-N 120.663 -1.273 . . . . 71.22 114.415 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.445 ' HE3' ' CB ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -117.14 108.63 15.93 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 127.726 2.41 . . . . 71.44 108.565 178.645 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 56.0 m -76.57 114.75 15.64 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.019 -1.104 . . . . 62.02 108.019 175.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 32.7 mm -61.11 157.6 2.94 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 125.986 1.714 . . . . 73.13 108.681 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.12 159.65 21.45 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.894 1.678 . . . . 54.55 108.327 173.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.5 t -121.17 136.69 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 125.171 1.389 . . . . 71.34 107.608 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -128.72 163.33 25.37 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 124.521 1.129 . . . . 61.02 109.587 165.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -127.03 93.22 3.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.064 -1.425 . . . . 73.31 108.78 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.0 86.16 7.36 Favored 'General case' 0 C--O 1.226 -0.137 0 N-CA-C 107.869 -1.16 . . . . 61.13 107.869 168.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.7 tptt -116.84 106.34 13.35 Favored 'General case' 0 CA--C 1.511 -0.554 0 C-N-CA 127.791 2.437 . . . . 72.41 107.959 174.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.0 97.73 0.38 Allowed Glycine 0 CA--C 1.523 0.586 0 CA-C-O 119.592 -0.56 . . . . 62.01 111.754 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.8 m . . . . . 0 C--O 1.248 1.012 0 N-CA-C 108.797 -0.816 . . . . 45.53 108.797 145.427 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.672 0 N-CA-C 111.048 -0.821 . . . . 23.51 111.048 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -62.73 -34.17 76.63 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 122.993 0.517 . . . . 71.55 111.023 164.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.1 mmm 75.08 65.98 0.07 Allowed 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 128.694 2.798 . . . . 53.45 111.595 -178.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -161.67 142.41 10.84 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 130.771 3.628 . . . . 74.24 105.502 175.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.2 m -146.78 131.49 17.92 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 105.428 -2.064 . . . . 74.35 105.428 150.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.6 mt -106.05 132.85 52.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 105.541 -2.022 . . . . 64.11 105.541 169.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.8 mt -100.82 132.19 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 N-CA-C 106.626 -1.62 . . . . 54.44 106.626 170.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.1 mt -89.65 151.07 22.07 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.179 -1.045 . . . . 63.12 108.179 164.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 mtp-105 -133.02 172.76 12.2 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.458 1.103 . . . . 72.33 108.773 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.0 t30 57.83 42.02 23.93 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 125.097 1.359 . . . . 71.12 110.19 175.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.7 mt -89.34 130.48 35.71 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 105.233 -2.136 . . . . 71.14 105.233 171.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -73.62 159.14 85.23 Favored Pre-proline 0 C--O 1.237 0.435 0 N-CA-C 109.946 -0.39 . . . . 72.04 109.946 -177.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.36 -42.21 58.07 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 123.732 2.955 . . . . 75.02 111.993 174.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -67.45 -17.04 64.54 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.876 1.27 . . . . 75.02 113.987 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.5 m -70.68 172.97 7.76 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 120.786 -1.196 . . . . 75.12 109.855 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.283 1.7 t -129.2 -86.03 0.55 Allowed 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 106.031 -1.841 . . . . 62.04 106.031 165.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.535 ' HB3' HG21 ' A' ' 37' ' ' VAL . 3.6 ptp -159.45 -40.48 0.06 Allowed 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 119.964 1.256 . . . . 74.35 109.542 166.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.31 -25.63 68.4 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.007 0.367 . . . . 73.21 111.591 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -49.18 -43.07 41.83 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.344 1.458 . . . . 73.24 110.667 169.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.1 mp -87.34 -48.99 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 C-N-CA 125.447 1.499 . . . . 64.44 108.647 -178.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.446 HD21 HG21 ' A' ' 35' ' ' VAL . 81.8 mt -65.05 -28.7 69.66 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 113.51 0.93 . . . . 75.23 113.51 -166.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -97.02 14.14 64.19 Favored Glycine 0 CA--C 1.523 0.544 0 CA-C-O 118.765 -1.02 . . . . 61.23 113.121 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -124.38 -64.63 1.1 Allowed 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.617 1.567 . . . . 61.25 107.971 175.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.77 45.53 1.3 Allowed 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 127.071 2.148 . . . . 74.32 110.145 -169.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.634 ' HB1' HG22 ' A' ' 29' ' ' VAL . . . -122.03 54.0 4.86 Favored Pre-proline 0 CA--C 1.539 0.544 0 O-C-N 121.202 -0.936 . . . . 75.54 112.52 171.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -72.52 -18.41 25.84 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.901 1.734 . . . . 60.32 113.561 171.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -129.93 -25.06 2.58 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 119.098 0.863 . . . . 75.54 113.162 -173.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.43 116.18 6.33 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 107.835 -1.172 . . . . 74.53 107.835 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.634 HG22 ' HB1' ' A' ' 25' ' ' ALA . 31.6 t -105.91 95.96 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 107.133 -1.432 . . . . 55.11 107.133 179.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -76.96 164.12 26.07 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 110.438 -0.208 . . . . 72.55 110.438 172.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 m -83.66 160.94 21.24 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.645 0.736 . . . . 62.03 110.916 155.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.2 p -60.4 -28.16 68.02 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.05 0.94 . . . . 63.11 112.854 173.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 p -67.14 -33.04 74.59 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 124.409 1.083 . . . . 72.14 111.713 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -73.68 -22.67 59.87 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 117.945 -1.026 . . . . 64.44 110.293 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.446 HG21 HD21 ' A' ' 21' ' ' LEU . 41.4 t -108.6 88.47 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-O 123.105 1.431 . . . . 52.54 109.331 -172.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -65.22 109.46 2.23 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 114.373 -1.285 . . . . 73.03 109.88 172.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.535 HG21 ' HB3' ' A' ' 17' ' ' MET . 41.2 t -110.29 107.53 23.14 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.18 0 C-N-CA 125.762 1.625 . . . . 75.45 107.124 169.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 49.3 mt -66.38 119.45 11.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 N-CA-C 106.568 -1.641 . . . . 72.35 106.568 167.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -82.57 154.56 24.94 Favored 'General case' 0 N--CA 1.44 -0.937 0 N-CA-C 108.658 -0.868 . . . . 73.32 108.658 162.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -60.51 -26.38 66.8 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.895 0.855 . . . . 74.01 110.212 163.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm 75.14 -67.98 0.23 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 127.937 2.495 . . . . 64.31 107.751 -171.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -61.46 -47.36 86.03 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 120.002 1.274 . . . . 72.45 113.791 -169.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.7 p -74.63 -13.32 60.63 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.601 0.76 . . . . 75.42 110.839 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 63.26 14.33 7.71 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 129.945 3.298 . . . . 63.23 112.706 -170.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.6 mt -91.93 175.28 6.94 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.08 0.952 . . . . 61.15 109.316 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -88.51 -173.3 4.11 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.631 0.772 . . . . 75.23 109.864 172.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -95.54 -13.82 24.14 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.423 -0.798 . . . . 74.02 112.025 161.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.99 12.97 51.31 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.394 1.473 . . . . 52.55 114.203 168.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -135.61 165.85 24.58 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.386 1.475 . . . . 75.31 107.215 161.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.73 160.95 37.82 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 124.238 1.015 . . . . 71.21 109.184 175.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -118.65 108.92 15.51 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.779 -1.193 . . . . 74.22 107.779 -177.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 18.8 mt -79.68 142.81 13.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 125.149 1.379 . . . . 72.45 108.195 170.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -128.91 95.75 4.17 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 126.466 1.907 . . . . 61.31 107.801 171.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mt -96.79 -173.01 2.6 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.033 0.933 . . . . 73.32 110.497 -177.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.46 151.31 46.65 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.018 1.327 . . . . 71.44 108.623 157.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.7 m -48.31 -60.18 2.86 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.266 1.026 . . . . 60.43 111.517 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.7 mm -69.63 -45.16 78.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 C-N-CA 123.418 0.687 . . . . 75.24 109.245 -173.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -55.19 -45.52 75.82 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.203 0.601 . . . . 74.34 109.948 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.26 -54.0 35.83 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.959 1.304 . . . . 60.44 109.534 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.21 -48.49 81.25 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.193 0.997 . . . . 71.41 110.712 -169.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -66.05 -51.92 53.76 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.336 0.655 . . . . 74.23 110.146 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -52.91 -41.79 64.76 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 123.817 0.847 . . . . 75.52 111.389 -178.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.3 tp -56.09 -48.95 75.16 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.241 -0.651 . . . . 71.25 109.241 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -61.19 -34.95 75.9 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 117.802 0.274 . . . . 71.12 111.481 -179.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 67.1 mt -64.69 -54.52 29.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 108.276 -1.009 . . . . 73.32 108.276 175.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.9 mt -56.39 -18.99 12.78 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.888 1.069 . . . . 74.45 113.888 175.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -97.82 12.88 32.45 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 118.983 0.811 . . . . 63.52 111.733 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -147.71 -21.39 0.37 Allowed 'General case' 0 C--O 1.236 0.36 0 N-CA-C 115.176 1.547 . . . . 75.35 115.176 -175.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -175.25 5.32 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.465 1.106 . . . . 75.35 112.525 178.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.33 144.84 81.95 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 123.559 0.744 . . . . 64.12 112.404 171.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -66.09 160.16 46.0 Favored 'Trans proline' 0 N--CA 1.455 -0.764 1 C-N-CA 125.64 4.227 . . . . 72.44 113.724 -171.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -77.26 149.09 27.65 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 123.271 2.647 . . . . 64.11 114.911 -171.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.29 122.52 18.53 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 127.961 2.504 . . . . 62.41 109.08 171.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.87 144.23 43.47 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 124.48 1.112 . . . . 52.55 110.233 179.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.0 17.78 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.144 0.978 . . . . 74.42 111.966 -176.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.491 ' HB3' ' HE3' ' A' ' 78' ' ' LYS . 15.7 t70 -164.58 29.07 0.07 Allowed 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.121 -0.987 . . . . 74.23 110.214 167.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.32 18.07 77.96 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.332 0.968 . . . . 43.35 114.676 -170.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.491 ' HE3' ' HB3' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -121.48 119.19 31.3 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.719 2.008 . . . . 74.15 110.82 175.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.04 124.66 26.68 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 120.877 -1.14 . . . . 54.44 110.51 174.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.1 mm -67.25 147.84 12.36 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 119.535 1.062 . . . . 74.41 110.063 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -130.07 176.29 8.2 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 124.548 1.139 . . . . 60.01 111.454 174.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 t -133.56 136.42 54.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 124.215 1.006 . . . . 74.34 108.94 -167.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -125.23 164.14 20.95 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.201 -1.037 . . . . 72.14 108.201 158.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -119.06 111.73 18.66 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 105.749 -1.945 . . . . 75.31 105.749 178.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.03 47.67 1.09 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 124.661 1.185 . . . . 64.15 109.198 -172.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.458 ' HA ' ' HE2' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -68.48 97.33 0.76 Allowed 'General case' 0 C--O 1.223 -0.323 0 N-CA-C 107.777 -1.194 . . . . 72.34 107.777 176.244 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.412 ' N ' ' HE2' ' A' ' 86' ' ' LYS . . . -52.8 -78.36 0.11 Allowed Glycine 0 CA--C 1.526 0.737 0 O-C-N 124.498 1.124 . . . . 73.42 111.29 -178.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.6 m . . . . . 0 C--O 1.257 1.468 0 CA-C-O 115.945 -1.978 . . . . 72.31 109.819 -171.393 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.356 0 N-CA-C 110.979 -0.848 . . . . 70.55 110.979 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 48.35 -171.82 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.664 2.386 . . . . 74.51 112.78 178.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.5 ptt? -94.77 137.29 34.04 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 104.656 -2.35 . . . . 72.22 104.656 154.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.4 ' OD1' ' HE2' ' A' ' 86' ' ' LYS . 1.6 m-20 45.79 94.24 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 129.002 2.921 . . . . 72.55 111.998 174.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.0 m -115.77 123.81 49.19 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 111.577 -2.556 . . . . 63.21 108.794 171.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 52.2 mt -93.98 117.4 37.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 104.399 -2.445 . . . . 65.25 104.399 159.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.2 mp -92.38 144.11 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 106.43 -1.693 . . . . 71.35 106.43 172.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.444 ' HB3' HD21 ' A' ' 11' ' ' LEU . 10.0 mp -110.28 150.78 28.23 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 106.997 -1.483 . . . . 64.12 106.997 167.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.4 mtp85 -130.18 170.72 13.7 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 107.421 -1.326 . . . . 74.43 107.421 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 51.1 t30 67.3 30.11 7.23 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.014 1.725 . . . . 72.44 113.222 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.444 HD21 ' HB3' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -73.46 117.34 15.1 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 119.901 -1.749 . . . . 74.15 107.454 174.404 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.499 ' H ' ' HE3' ' A' ' 78' ' ' LYS . 2.2 m-20 -67.96 162.26 60.65 Favored Pre-proline 0 C--O 1.235 0.336 0 C-N-CA 123.56 0.744 . . . . 72.43 110.167 175.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.739 ' HB2' HD22 ' A' ' 45' ' ' LEU . 71.6 Cg_endo -71.02 -31.54 14.8 Favored 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 123.547 2.831 . . . . 60.21 112.128 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.64 -14.98 61.72 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.47 1.108 . . . . 73.0 113.688 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.0 m -90.36 166.49 13.27 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.903 1.229 . . . . 72.44 109.877 167.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 t -135.83 -39.92 0.7 Allowed 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 125.268 1.427 . . . . 61.41 110.058 176.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.6 ttp -175.06 -60.08 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.693 0 C-N-CA 126.101 1.76 . . . . 74.24 108.686 165.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -51.85 -31.57 28.38 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 126.412 1.885 . . . . 65.41 113.153 -163.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.7 m -63.35 -59.62 4.46 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 109.988 -0.375 . . . . 75.23 109.988 173.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.3 mt -53.69 -43.83 56.45 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 C-N-CA 124.474 1.11 . . . . 73.35 108.302 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.7 tp -69.13 -21.85 64.0 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 113.567 0.951 . . . . 72.55 113.567 -166.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -107.37 -22.48 7.42 Favored Glycine 0 CA--C 1.526 0.779 0 CA-C-O 119.218 -0.768 . . . . 52.03 112.452 177.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.23 -46.88 12.16 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 118.79 1.295 . . . . 62.45 109.393 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.0 tp -81.78 20.17 0.99 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.899 0.88 . . . . 63.25 110.133 -173.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.51 53.27 2.95 Favored Pre-proline 0 CA--C 1.543 0.699 0 C-N-CA 125.124 1.37 . . . . 72.41 113.862 -171.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -68.79 -23.22 35.84 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 121.397 1.398 . . . . 60.41 112.112 167.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -130.53 -24.22 2.52 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.573 1.149 . . . . 73.15 112.704 -176.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.53 103.58 4.11 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.792 0.837 . . . . 72.23 110.351 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.7 t -80.54 108.07 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 104.121 -2.548 . . . . 62.43 104.121 157.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.16 157.03 35.27 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 119.528 -0.869 . . . . 71.11 109.934 167.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 m -84.69 155.34 21.98 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 121.98 0.895 . . . . 65.14 109.271 168.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.4 p -64.19 -24.92 67.85 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 114.008 1.114 . . . . 73.14 114.008 -172.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 t -64.52 -48.42 75.18 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.231 -0.655 . . . . 64.45 109.231 173.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -63.08 -17.92 62.82 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 124.978 1.311 . . . . 71.54 112.405 -172.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.2 t -118.31 96.24 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-O 122.719 1.247 . . . . 71.13 109.935 -170.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.4 112.42 16.62 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 108.125 -1.065 . . . . 54.52 108.125 170.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.5 t -108.1 101.48 12.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 103.761 -2.681 . . . . 65.34 103.761 160.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.1 mt -68.57 136.23 26.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 N-CA-C 106.055 -1.832 . . . . 72.32 106.055 171.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -129.82 160.93 31.97 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.63 0.772 . . . . 62.3 109.331 177.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -68.67 -175.48 0.68 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.778 0.831 . . . . 64.33 112.024 -175.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.21 -40.81 4.33 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.363 1.465 . . . . 61.01 111.234 174.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -101.99 -36.82 8.47 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.388 0.675 . . . . 51.21 110.801 -172.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.3 p -81.24 -21.5 39.42 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.752 0.705 . . . . 73.31 110.716 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.2 mm-40 56.95 44.78 22.42 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.765 2.026 . . . . 54.12 111.304 -174.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.739 HD22 ' HB2' ' A' ' 13' ' ' PRO . 9.1 mt -137.83 159.8 41.01 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.536 1.062 . . . . 63.1 110.862 177.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -56.97 162.89 2.23 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.18 1.392 . . . . 61.24 111.822 178.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.95 -14.53 61.06 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.035 -1.04 . . . . 70.13 111.754 167.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.89 -14.31 52.74 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 119.937 1.244 . . . . 73.04 114.229 178.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.442 ' HA ' HD23 ' A' ' 11' ' ' LEU . 6.3 p90 -128.53 163.73 24.33 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 119.51 1.655 . . . . 64.43 109.235 169.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -147.09 157.01 43.47 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.727 1.211 . . . . 64.44 110.406 -171.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -130.12 99.09 4.94 Favored 'General case' 0 C--N 1.334 -0.093 0 C-N-CA 124.423 1.089 . . . . 73.1 111.321 -158.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.6 mt -79.59 137.87 20.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 N-CA-C 108.061 -1.088 . . . . 71.22 108.061 170.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.06 119.02 31.26 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.734 2.014 . . . . 73.55 105.766 169.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.2 mt -124.22 169.01 12.16 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.519 1.128 . . . . 73.14 108.681 176.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.405 ' HB3' ' CG ' ' A' ' 58' ' ' GLU . 10.2 t -65.24 164.6 13.03 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.119 0.568 . . . . 63.25 110.44 175.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.5 p -53.29 -67.18 0.28 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.235 1.414 . . . . 50.45 111.722 -167.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.4 mm -68.75 -37.92 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 O-C-N 121.271 -0.893 . . . . 71.45 110.186 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.405 ' CG ' ' HB3' ' A' ' 55' ' ' SER . 16.6 mm-40 -57.93 -49.35 77.05 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 124.41 1.084 . . . . 74.55 110.904 -173.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.17 -54.04 41.7 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.045 1.338 . . . . 72.43 110.445 176.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.76 -43.84 92.0 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.934 0.493 . . . . 71.44 110.556 -176.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -59.43 -56.29 23.9 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 123.799 0.84 . . . . 64.14 110.301 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -54.53 -52.1 63.09 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 124.373 1.046 . . . . 75.23 109.261 -177.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.9 tp -50.54 -53.6 28.98 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.685 0.794 . . . . 73.14 110.623 -176.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -63.92 -23.44 67.34 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.62 0.6 . . . . 64.22 112.62 -172.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.7 mt -66.69 -59.88 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 N-CA-C 108.002 -1.11 . . . . 75.23 108.002 174.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.17 -22.81 63.38 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.289 -0.882 . . . . 54.03 112.698 -178.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -84.97 14.43 4.92 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.008 1.323 . . . . 71.44 113.273 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.51 -43.32 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 123.777 0.831 . . . . 64.45 111.99 -178.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 pp -77.08 -168.89 1.18 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.219 1.408 . . . . 44.31 112.565 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -53.05 157.16 3.08 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 126.354 1.862 . . . . 63.44 113.214 -177.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -66.56 161.52 40.98 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 123.209 2.606 . . . . 71.43 112.151 -176.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -63.76 141.82 80.35 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 123.107 2.538 . . . . 74.31 112.648 -176.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.53 114.48 16.41 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 126.153 1.781 . . . . 72.42 108.613 -175.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.2 t -71.08 159.34 34.88 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.955 0.883 . . . . 75.41 110.826 172.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -138.44 15.95 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 125.968 1.707 . . . . 73.31 110.399 -175.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.1 t70 178.19 42.62 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 127.563 2.345 . . . . 44.14 109.093 173.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.46 -14.23 1.89 Allowed Glycine 0 CA--C 1.535 1.298 0 O-C-N 120.286 -1.509 . . . . 55.33 115.716 -178.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.499 ' HE3' ' H ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -83.63 109.45 17.45 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 120.342 2.071 . . . . 71.15 109.371 177.777 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.53 113.92 6.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 121.205 1.82 . . . . 75.43 108.694 174.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.6 mm -59.12 165.27 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-O 122.232 1.015 . . . . 74.22 109.306 178.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.48 161.13 27.79 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 126.97 2.108 . . . . 52.35 107.217 -176.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 19.4 t -129.83 143.24 41.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 105.543 -2.021 . . . . 62.31 105.543 177.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.08 165.05 28.5 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 124.969 1.308 . . . . 75.31 108.413 178.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -141.17 105.34 4.81 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.15 -1.055 . . . . 75.51 108.15 -174.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.13 65.79 1.21 Allowed 'General case' 0 C--O 1.239 0.519 0 CA-C-O 122.716 1.246 . . . . 45.25 109.592 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HE2' ' OD1' ' A' ' 4' ' ' ASP . 3.6 tmtt? -71.63 42.09 0.08 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 128.869 2.867 . . . . 73.22 111.921 177.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.76 -15.29 3.05 Favored Glycine 0 CA--C 1.528 0.882 0 O-C-N 119.716 -1.865 . . . . 45.23 114.91 171.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.3 t . . . . . 0 C--O 1.248 0.984 0 C-N-CA 126.106 1.762 . . . . 73.54 107.728 164.209 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.469 0 CA-C-O 117.839 -1.534 . . . . 34.53 110.802 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -164.0 -45.66 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.455 1.502 . . . . 72.11 110.495 179.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.13 116.79 6.87 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 108.504 -0.924 . . . . 50.22 108.504 178.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 61.41 90.91 0.06 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 127.13 2.172 . . . . 51.33 108.456 176.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.7 m -120.38 124.47 45.58 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 125.006 1.322 . . . . 72.23 108.441 -174.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 52' ' ' ILE . 18.2 mt -86.96 134.11 28.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 106.135 -1.802 . . . . 74.23 106.135 165.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mp -112.0 155.1 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 106.897 -1.52 . . . . 51.23 106.897 162.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.6 mt -125.58 159.67 31.52 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 125.286 1.435 . . . . 75.44 108.704 177.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.504 ' HB2' ' HB2' ' A' ' 81' ' ' ASN . 33.7 mtt-85 -134.35 163.15 30.3 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.86 0.864 . . . . 73.12 109.42 173.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 58.8 t30 74.18 39.57 0.48 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.639 1.976 . . . . 71.11 112.698 175.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.37 97.85 10.22 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 120.207 -1.558 . . . . 63.42 108.208 176.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.569 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 2.1 m-20 -49.53 154.6 1.57 Allowed Pre-proline 0 N--CA 1.479 0.994 0 C-N-CA 123.846 0.858 . . . . 74.24 111.068 175.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.444 ' HB2' HD22 ' A' ' 45' ' ' LEU . 30.9 Cg_endo -56.49 -47.73 22.48 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.694 2.929 . . . . 72.3 112.129 -175.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -83.86 13.86 4.51 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.479 0.918 . . . . 73.33 113.479 -175.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.6 t -73.57 -22.54 60.03 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 114.816 1.413 . . . . 74.45 114.816 -172.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.13 -164.86 0.22 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.954 1.302 . . . . 53.23 112.939 -175.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 61.9 ttp -115.46 -59.02 2.06 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 124.433 1.093 . . . . 62.12 109.191 170.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -60.57 -30.48 69.82 Favored 'General case' 0 N--CA 1.462 0.142 0 O-C-N 123.482 0.489 . . . . 70.44 111.353 -173.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.6 t -49.68 -63.47 1.1 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.942 1.697 . . . . 64.01 110.065 168.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.6 mt -60.31 -42.79 91.94 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.253 0 C-N-CA 125.727 1.611 . . . . 75.14 109.616 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.462 HD21 HG21 ' A' ' 35' ' ' VAL . 36.3 mt -53.95 -44.32 70.61 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 119.575 1.08 . . . . 75.22 109.76 177.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -86.38 14.18 55.46 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-O 117.281 -1.844 . . . . 73.41 115.232 -177.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.55 -37.85 0.68 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.137 1.468 . . . . 73.55 112.786 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 tp -95.14 31.31 1.94 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 127.27 2.228 . . . . 44.02 110.042 -178.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.404 ' HB1' ' HA ' ' A' ' 29' ' ' VAL . . . -128.77 54.29 13.63 Favored Pre-proline 0 CA--C 1.54 0.574 0 O-C-N 121.202 -0.937 . . . . 73.15 112.119 173.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.86 -32.86 13.31 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 121.386 1.391 . . . . 72.52 112.15 176.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -107.15 -28.36 10.01 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 117.96 -1.019 . . . . 60.11 112.834 -174.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.95 133.93 12.26 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 125.617 1.567 . . . . 71.51 108.717 -169.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.404 ' HA ' ' HB1' ' A' ' 25' ' ' ALA . 17.0 t -112.66 96.35 4.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 118.917 0.781 . . . . 72.51 111.063 -163.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.59 169.95 6.97 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 125.794 1.637 . . . . 74.23 112.91 177.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.9 m -130.45 163.87 26.02 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.804 1.642 . . . . 73.45 111.679 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.8 p -76.44 -24.94 53.96 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 115.706 1.743 . . . . 74.12 115.706 -163.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.6 t -69.17 -34.86 75.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 119.13 0.877 . . . . 53.02 109.669 172.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -68.55 -37.42 79.93 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.639 -0.504 . . . . 63.24 109.639 -176.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.462 HG21 HD21 ' A' ' 21' ' ' LEU . 42.4 t -90.41 144.72 8.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 123.881 0.872 . . . . 64.21 110.784 -174.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.82 90.95 2.9 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 120.676 -1.265 . . . . 74.05 110.275 -173.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.6 t -93.58 85.79 2.0 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 C-N-CA 127.442 2.297 . . . . 72.12 107.978 169.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.6 mt -59.62 122.96 11.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 C-N-CA 125.83 1.652 . . . . 70.43 106.917 171.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -92.9 156.65 16.81 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 118.931 0.787 . . . . 73.44 109.766 172.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -71.3 175.97 4.95 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 118.652 0.66 . . . . 73.33 110.944 166.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -112.06 -14.69 13.4 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 114.53 1.307 . . . . 63.11 114.53 169.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.32 -56.41 2.63 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 120.233 1.379 . . . . 72.2 109.547 175.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.9 p -74.63 -15.1 60.83 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 119.59 1.087 . . . . 74.34 112.202 -174.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 68.22 -14.31 0.25 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.864 1.666 . . . . 70.32 113.318 -168.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.444 HD22 ' HB2' ' A' ' 13' ' ' PRO . 13.8 mt -71.9 -172.7 0.88 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.673 1.589 . . . . 53.12 110.239 -174.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.5 p30 -75.9 -173.74 2.4 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.748 2.019 . . . . 74.04 112.287 167.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -111.85 -13.83 13.62 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.162 1.785 . . . . 73.33 113.53 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.79 14.5 36.93 Favored Glycine 0 N--CA 1.469 0.873 0 CA-C-N 119.914 1.234 . . . . 51.23 114.698 172.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -145.42 168.18 21.16 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 125.645 1.578 . . . . 75.01 106.814 170.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -146.31 158.09 43.85 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 120.418 -1.426 . . . . 75.23 108.7 166.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.464 ' HB3' HE22 ' A' ' 53' ' ' GLN . 92.8 m-85 -113.08 160.11 18.51 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.066 -1.457 . . . . 71.53 107.066 176.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 45.1 mt -142.23 118.97 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 126.776 2.03 . . . . 74.25 105.611 177.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.464 HE22 ' HB3' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -111.89 86.44 2.34 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 105.541 -2.022 . . . . 61.33 105.541 -177.479 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 mt -85.52 -171.88 3.84 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.556 -0.715 . . . . 71.53 109.358 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.1 t -68.79 159.01 33.19 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 108.892 -0.781 . . . . 71.35 108.892 162.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 p -45.23 -68.92 0.16 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 127.19 2.196 . . . . 72.13 111.641 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.3 mm -62.32 -46.0 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 C-N-CA 125.212 1.405 . . . . 73.24 109.396 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -60.5 -48.8 80.16 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 123.087 0.555 . . . . 71.32 111.334 -175.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.88 -40.14 79.53 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.404 1.082 . . . . 63.53 111.14 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.96 -59.0 3.6 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.393 0.677 . . . . 72.13 110.328 174.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -48.74 -57.81 5.75 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 125.162 1.385 . . . . 42.23 110.161 -177.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -55.17 -51.04 67.78 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 124.615 1.166 . . . . 64.54 110.085 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.8 tt -57.07 -47.49 80.88 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-O 118.602 -0.713 . . . . 51.33 110.608 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -56.67 -35.8 68.85 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 122.981 0.512 . . . . 74.24 112.314 -175.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.4 mt -59.64 -65.12 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 124.559 1.144 . . . . 71.44 110.042 177.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.16 -14.55 25.82 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.767 0.827 . . . . 51.01 113.03 -176.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -95.88 14.8 22.23 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.497 1.519 . . . . 43.04 111.858 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -142.24 13.95 2.02 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 114.071 1.137 . . . . 74.31 114.071 -178.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.3 pp -163.07 145.01 10.06 Favored 'General case' 0 CA--C 1.514 -0.442 0 O-C-N 120.679 -1.263 . . . . 72.44 110.116 -175.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 55.61 167.22 0.05 OUTLIER Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.835 1.254 . . . . 74.15 113.502 175.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -69.15 169.57 17.83 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 121.086 1.191 . . . . 74.13 110.252 166.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -64.81 157.0 58.68 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 122.862 2.375 . . . . 73.21 111.258 158.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.496 HD13 ' H ' ' A' ' 74' ' ' THR . 0.2 OUTLIER -91.3 170.83 9.66 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 127.827 2.451 . . . . 72.54 108.657 -175.307 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.496 ' H ' HD13 ' A' ' 73' ' ' LEU . 10.7 t -145.23 151.15 37.93 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 121.579 -0.7 . . . . 75.34 111.255 164.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -138.2 18.52 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 127.248 2.219 . . . . 55.33 110.343 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -163.7 31.04 0.08 Allowed 'General case' 0 N--CA 1.48 1.072 0 O-C-N 119.525 -1.984 . . . . 72.35 109.567 167.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.72 13.75 59.48 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 125.017 1.294 . . . . 44.55 114.792 -173.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.569 ' HE3' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -112.36 113.96 26.43 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 119.194 1.497 . . . . 72.01 108.971 173.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.93 120.13 18.13 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.324 -0.86 . . . . 63.43 109.212 -177.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.7 mm -71.97 134.52 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 N-CA-C 109.425 -0.583 . . . . 72.31 109.425 -173.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.504 ' HB2' ' HB2' ' A' ' 9' ' ' ARG . 1.0 OUTLIER -91.5 157.89 16.78 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.436 1.494 . . . . 73.32 108.614 169.394 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.5 t -127.02 149.58 32.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 124.902 1.281 . . . . 74.53 107.579 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -142.97 164.53 29.84 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 125.683 1.593 . . . . 71.23 109.096 174.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -138.26 88.32 2.3 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 125.143 1.377 . . . . 74.25 108.161 -174.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -93.08 76.77 4.67 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 107.724 -1.213 . . . . 41.35 107.724 176.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -76.54 111.13 11.7 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 108.499 -0.926 . . . . 73.12 108.499 -174.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -73.79 74.04 1.17 Allowed Glycine 0 CA--C 1.534 1.232 0 CA-C-O 119.844 -0.42 . . . . 51.42 112.051 171.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.1 m . . . . . 0 C--O 1.251 1.183 0 N-CA-C 107.499 -1.297 . . . . 70.33 107.499 158.415 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.891 0 N-CA-C 111.047 -0.821 . . . . 74.4 111.047 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 74.99 -58.7 0.57 Allowed 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 127.711 2.404 . . . . 71.1 112.879 172.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.421 ' HG3' ' H ' ' A' ' 4' ' ' ASP . 3.3 tpp 50.94 -163.76 0.05 Allowed 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 124.737 1.215 . . . . 44.24 111.119 -170.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.421 ' H ' ' HG3' ' A' ' 3' ' ' MET . 1.7 m-20 -94.23 93.98 8.07 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 104.297 -2.483 . . . . 54.45 104.297 175.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.5 m -98.45 134.04 41.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.206 -0.906 . . . . 72.41 109.101 174.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.0 mt -97.35 131.62 43.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 N-CA-C 104.988 -2.227 . . . . 75.4 104.988 163.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.6 mt -106.77 150.78 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 106.056 -1.831 . . . . 75.41 106.056 172.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 mp -120.83 155.23 34.52 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 125.061 1.344 . . . . 60.04 107.488 175.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.9 mtp85 -138.59 173.91 11.09 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.721 0.808 . . . . 71.12 109.562 175.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.7 t30 62.54 30.26 17.09 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.797 2.039 . . . . 71.21 112.184 -174.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.502 HD23 ' HA ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -71.7 124.24 24.31 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 119.545 -1.972 . . . . 71.34 105.943 173.319 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.415 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 1.9 m-20 -64.11 153.07 86.37 Favored Pre-proline 0 C--O 1.236 0.385 0 CA-C-O 118.9 -0.571 . . . . 73.13 109.685 175.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -59.21 -43.89 38.15 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 122.961 2.441 . . . . 63.1 111.34 172.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -66.71 -14.76 62.91 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.903 1.281 . . . . 75.3 113.932 176.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 t -69.44 164.46 23.0 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 120.024 1.283 . . . . 75.43 109.334 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 19' ' ' SER . 12.4 t -124.63 -164.24 1.25 Allowed 'General case' 0 C--O 1.236 0.384 0 N-CA-C 107.463 -1.31 . . . . 74.4 107.463 168.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 51.5 ttm -85.21 -55.67 3.92 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 126.565 1.946 . . . . 75.04 107.233 169.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -57.74 -28.9 64.32 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.065 1.346 . . . . 62.03 112.471 -168.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.485 ' H ' HG23 ' A' ' 16' ' ' THR . 68.5 p -71.36 -56.29 6.27 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.598 -0.89 . . . . 64.04 108.598 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mt -54.16 -42.68 57.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 125.766 1.627 . . . . 71.33 108.857 175.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.88 -21.47 64.73 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 117.503 -1.236 . . . . 72.1 113.712 -178.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -113.11 13.97 23.76 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 119.763 1.165 . . . . 54.33 113.444 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.504 ' HB3' HG12 ' A' ' 75' ' ' ILE . . . -144.51 -21.62 0.53 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 118.601 1.2 . . . . 63.33 113.386 -178.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 tp -94.06 14.56 19.49 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.957 0.799 . . . . 60.23 109.392 168.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.94 52.42 2.26 Favored Pre-proline 0 CA--C 1.544 0.714 0 N-CA-C 113.41 0.893 . . . . 71.41 113.41 -173.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.408 ' HG2' ' CD2' ' A' ' 27' ' ' TYR . 49.3 Cg_endo -73.8 -32.46 7.36 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 121.934 1.756 . . . . 71.22 111.259 165.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.408 ' CD2' ' HG2' ' A' ' 26' ' ' PRO . 73.9 m-85 -109.18 -34.54 6.55 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 119.125 0.875 . . . . 75.41 112.892 -168.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.35 141.78 33.82 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.689 -1.226 . . . . 75.41 107.689 173.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.6 t -117.18 98.78 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 N-CA-C 106.126 -1.805 . . . . 71.24 106.126 -174.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.4 mt -75.51 178.5 5.92 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.007 1.323 . . . . 64.44 110.074 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 t -124.59 171.94 9.63 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 122.141 0.972 . . . . 74.2 110.961 169.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.5 m -68.91 -24.44 64.3 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.971 1.309 . . . . 64.3 113.324 -169.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.6 t -80.39 -25.77 38.91 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.656 1.117 . . . . 73.13 110.573 172.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -69.98 -47.99 60.01 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 119.3 0.955 . . . . 54.31 108.813 176.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.0 t -75.21 143.65 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 121.768 0.794 . . . . 62.1 110.056 -177.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -129.05 112.35 13.92 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 106.946 -1.501 . . . . 71.33 106.946 168.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.2 t -110.1 100.23 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 104.793 -2.299 . . . . 74.02 104.793 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.1 mt -74.42 128.29 36.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 N-CA-C 106.344 -1.724 . . . . 60.34 106.344 177.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 46' ' ' ASN . 92.1 mttt -89.1 155.51 19.4 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 123.108 0.563 . . . . 73.13 110.131 172.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -30.07 56.72 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.327 1.451 . . . . 54.53 111.771 174.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.1 mttp 73.84 -20.93 0.28 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 127.376 2.27 . . . . 75.11 113.914 163.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.1 -65.87 0.64 Allowed 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 107.796 -1.187 . . . . 62.4 107.796 157.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.6 p -92.12 12.7 21.23 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.971 0.805 . . . . 64.13 112.138 -172.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 58.73 -13.73 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 127.955 2.502 . . . . 61.0 115.716 -171.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.4 mt -59.5 168.92 1.41 Allowed 'General case' 0 C--O 1.231 0.11 0 C-N-CA 125.271 1.428 . . . . 63.43 111.1 -177.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 12.8 m-20 -74.38 179.21 4.71 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.878 -0.415 . . . . 55.22 109.878 169.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -89.55 -14.07 35.94 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.692 0.997 . . . . 62.24 113.692 170.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.86 12.71 49.18 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 125.156 1.36 . . . . 53.12 114.153 174.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.502 ' HA ' HD23 ' A' ' 11' ' ' LEU . 31.4 p90 -142.45 161.93 36.77 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 127.554 2.341 . . . . 75.24 107.004 170.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -143.56 175.18 10.14 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.011 0.924 . . . . 75.43 108.513 177.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.55 ' HB3' HE22 ' A' ' 53' ' ' GLN . 48.4 m-85 -137.12 164.58 28.11 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.267 1.427 . . . . 73.21 108.204 -175.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.9 mt -137.96 125.76 30.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 128.37 2.668 . . . . 51.11 105.898 175.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.55 HE22 ' HB3' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -116.65 100.69 8.0 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 106.889 -1.523 . . . . 74.24 106.889 179.72 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.0 mt -118.24 -174.77 2.73 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.47 1.508 . . . . 75.24 109.699 -176.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.42 161.02 20.74 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.795 -0.566 . . . . 73.22 109.594 163.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.0 p -54.96 -61.29 2.4 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.143 0.577 . . . . 64.04 109.84 174.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.6 mm -53.82 -58.7 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 125.544 1.538 . . . . 75.05 110.536 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.1 -46.73 85.03 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 109.894 -0.41 . . . . 63.25 109.894 -170.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.24 -55.2 37.86 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 123.772 0.829 . . . . 73.25 110.295 178.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.88 -49.55 75.16 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.721 1.209 . . . . 55.11 110.341 -175.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -55.22 -56.2 22.67 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 125.837 1.655 . . . . 62.41 110.85 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.2 -41.87 89.57 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.565 0.746 . . . . 71.24 110.692 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.09 -36.72 80.43 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.675 -0.641 . . . . 63.02 110.201 -178.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.52 -42.07 95.68 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.431 0.56 . . . . 73.03 110.449 176.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 69.4 mt -59.22 -52.93 54.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 N-CA-C 108.213 -1.032 . . . . 73.45 108.213 177.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.405 ' HA ' HD11 ' A' ' 69' ' ' LEU . 49.3 mt -52.82 -22.75 5.77 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 125.143 1.377 . . . . 74.13 114.41 177.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -105.14 14.64 28.83 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.232 0.924 . . . . 73.33 112.389 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -127.01 -33.74 2.41 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.935 1.294 . . . . 60.25 113.83 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.511 ' H ' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -87.75 -166.71 1.66 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.421 2.288 . . . . 73.31 114.533 -170.749 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -67.34 152.99 95.6 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 125.473 1.509 . . . . 75.3 113.072 170.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -66.99 165.64 25.57 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 124.003 3.136 . . . . 63.12 113.432 -176.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -71.36 139.69 35.35 Favored 'Trans proline' 0 N--CA 1.449 -1.091 0 C-N-CA 121.912 1.741 . . . . 72.02 112.947 -176.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.96 123.9 21.88 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 125.655 1.582 . . . . 64.21 108.047 171.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.63 145.85 31.47 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 124.548 1.139 . . . . 61.24 109.8 175.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.504 HG12 ' HB3' ' A' ' 23' ' ' ALA . 0.3 OUTLIER -128.28 19.34 2.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 124.797 1.239 . . . . 75.02 109.649 -172.295 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -173.01 31.07 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.554 1.542 . . . . 55.23 110.7 172.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.18 15.67 65.71 Favored Glycine 0 CA--C 1.535 1.325 0 O-C-N 120.613 -1.304 . . . . 73.0 114.752 -173.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.415 ' HE3' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -111.24 105.35 14.0 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 126.305 1.842 . . . . 75.12 109.049 173.705 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 58.5 m -69.91 115.01 8.64 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 118.83 -1.148 . . . . 74.42 109.286 168.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.7 mm -63.68 158.26 3.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 126.135 1.774 . . . . 71.0 110.166 -178.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -110.76 161.05 16.17 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 126.269 1.828 . . . . 75.0 109.403 172.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.7 t -122.2 138.44 52.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 106.968 -1.493 . . . . 61.01 106.968 173.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -132.87 163.22 29.59 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 125.506 1.523 . . . . 62.14 109.199 167.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -123.19 110.51 15.34 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.777 -1.194 . . . . 72.31 107.777 -178.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -112.72 71.12 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 107.375 -1.343 . . . . 74.2 107.375 175.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.41 ' HE2' ' OD2' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -70.83 160.57 32.52 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.897 -1.149 . . . . 63.03 107.897 167.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.3 -72.24 0.7 Allowed Glycine 0 CA--C 1.519 0.296 0 N-CA-C 109.912 -1.275 . . . . 15.23 109.912 169.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.4 m . . . . . 0 C--O 1.249 1.045 0 C-N-CA 127.447 2.299 . . . . 71.04 113.611 -176.858 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.523 0 N-CA-C 111.319 -0.712 . . . . 71.32 111.319 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -54.97 -37.71 66.86 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 126.926 2.091 . . . . 64.04 112.539 -167.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.2 133.87 25.13 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 105.243 -2.132 . . . . 74.02 105.243 173.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 43.38 83.5 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 129.245 3.018 . . . . 74.02 109.656 152.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.492 ' HB ' ' HB3' ' A' ' 85' ' ' ALA . 57.9 m -115.46 150.68 36.08 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 112.724 -2.035 . . . . 71.35 106.31 -175.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.0 mt -112.81 133.98 56.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 104.31 -2.478 . . . . 61.21 104.31 166.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.2 mt -107.56 140.73 24.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 105.748 -1.945 . . . . 71.34 105.748 174.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -114.11 154.35 27.92 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.436 -0.95 . . . . 54.21 108.436 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -133.41 178.3 7.02 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.135 0.974 . . . . 72.1 110.3 172.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 40.6 t30 54.48 50.04 17.0 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 125.71 1.604 . . . . 75.14 111.187 175.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.5 mt -86.22 121.7 29.18 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 105.651 -1.981 . . . . 74.41 105.651 169.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -57.11 152.04 31.95 Favored Pre-proline 0 C--O 1.235 0.33 0 N-CA-C 109.158 -0.682 . . . . 73.13 109.158 169.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.37 -37.04 32.4 Favored 'Trans proline' 0 N--CA 1.446 -1.284 0 C-N-CA 121.784 1.656 . . . . 75.4 110.901 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -92.01 13.89 17.41 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.165 0.586 . . . . 73.02 112.024 -177.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.5 m -93.75 165.47 12.68 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 120.55 -1.343 . . . . 74.31 109.117 162.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 p -135.09 -178.12 4.95 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 125.811 1.645 . . . . 73.02 106.865 144.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 ptm -50.52 -34.17 24.31 Favored 'General case' 0 C--O 1.217 -0.616 0 C-N-CA 126.321 1.849 . . . . 53.22 111.11 167.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.05 -28.32 66.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 118.514 0.597 . . . . 70.22 111.685 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 m -111.15 24.17 13.21 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 123.848 0.859 . . . . 73.44 112.126 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 52.7 mt -132.32 -34.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.07 0 C-N-CA 123.968 0.907 . . . . 75.44 109.427 173.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.9 mt -51.81 -46.38 64.26 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 122.916 0.486 . . . . 73.4 109.911 169.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.96 14.96 5.52 Favored Glycine 0 CA--C 1.534 1.226 0 CA-C-O 118.384 -1.231 . . . . 62.2 115.367 -173.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -150.65 -40.49 0.13 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 119.952 1.876 . . . . 51.23 111.202 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.64 21.71 4.54 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.087 1.355 . . . . 75.02 111.375 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.54 53.67 0.71 Allowed Pre-proline 0 CA--C 1.547 0.828 0 CA-C-N 119.541 1.064 . . . . 74.01 112.388 171.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.428 ' HG2' ' CE1' ' A' ' 27' ' ' TYR . 80.5 Cg_endo -76.06 -14.43 18.91 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 122.95 2.434 . . . . 71.01 111.756 169.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.428 ' CE1' ' HG2' ' A' ' 26' ' ' PRO . 0.5 OUTLIER -124.41 -79.6 0.61 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.509 1.524 . . . . 63.04 107.337 -176.591 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.92 106.02 14.4 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 123.637 0.775 . . . . 72.32 109.676 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.1 t -87.0 86.5 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 105.94 -1.874 . . . . 74.42 105.94 169.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.4 mt -66.4 154.22 40.71 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.029 0.532 . . . . 72.24 109.857 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.63 23.45 0.42 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.099 1.36 . . . . 71.25 112.056 -173.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.7 t 55.29 -60.41 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.057 2.143 . . . . 73.22 112.802 -162.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.4 t -54.03 -24.54 17.41 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.287 2.235 . . . . 53.21 113.872 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -52.39 -31.26 33.16 Favored 'General case' 0 C--N 1.341 0.235 0 O-C-N 121.008 -1.057 . . . . 72.35 111.249 169.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.6 t -101.55 143.57 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 C-N-CA 124.973 1.309 . . . . 74.24 110.149 -164.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.66 94.28 3.82 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 126.167 1.787 . . . . 73.31 108.554 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.2 t -95.02 106.37 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 105.258 -2.127 . . . . 65.0 105.258 164.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.0 mt -76.69 152.05 5.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 107.355 -1.35 . . . . 75.04 107.355 172.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -129.13 143.98 51.05 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.828 0.851 . . . . 74.12 111.365 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -61.26 150.92 33.23 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.418 -0.355 . . . . 74.41 110.916 175.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -95.68 13.91 24.82 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.773 1.027 . . . . 72.41 113.773 176.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -124.08 -50.56 1.8 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 119.27 0.941 . . . . 73.4 109.149 -177.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.539 HG23 ' H ' ' A' ' 45' ' ' LEU . 15.3 t -92.38 -14.09 29.17 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.805 0.729 . . . . 55.53 110.783 178.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 71.74 -12.66 0.63 Allowed 'General case' 0 C--N 1.342 0.273 0 CA-C-O 116.731 -1.604 . . . . 74.41 114.269 -169.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.539 ' H ' HG23 ' A' ' 43' ' ' THR . 41.4 mt -62.64 174.45 1.01 Allowed 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 120.012 1.278 . . . . 74.21 110.642 -177.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -69.63 -165.73 0.09 Allowed 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 125.205 1.402 . . . . 75.13 109.977 170.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -108.12 -12.76 15.06 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.972 1.709 . . . . 62.41 112.389 168.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.93 14.17 58.19 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 123.808 0.718 . . . . 75.03 113.414 176.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -147.82 167.53 24.52 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 126.075 1.75 . . . . 74.12 106.709 169.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -149.3 178.25 8.93 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 123.92 0.888 . . . . 41.44 109.341 174.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -130.01 158.18 40.29 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.001 1.72 . . . . 74.22 107.542 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 58.3 mt -131.57 130.05 62.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 127.228 2.211 . . . . 75.33 105.417 170.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.17 124.93 52.45 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 106.393 -1.706 . . . . 71.02 106.393 172.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.03 -179.82 5.56 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 126.033 1.733 . . . . 74.03 108.616 179.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.46 151.05 13.94 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.715 -0.846 . . . . 61.34 108.715 160.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.3 m -44.87 -63.19 0.97 Allowed 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 126.388 1.875 . . . . 72.12 110.271 172.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 45.7 mt -65.48 -48.05 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 N-CA-C 108.864 -0.791 . . . . 74.01 108.864 -174.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -64.18 -42.48 96.67 Favored 'General case' 0 C--N 1.331 -0.197 0 O-C-N 121.825 -0.547 . . . . 71.42 111.688 -166.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.46 -53.22 24.21 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.168 0.987 . . . . 71.22 110.17 178.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.1 -45.78 91.97 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.921 0.889 . . . . 72.41 110.795 -178.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -59.13 -58.33 9.1 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 118.777 0.717 . . . . 73.02 110.627 -177.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.23 -45.07 92.11 Favored 'General case' 0 CA--C 1.518 -0.257 0 O-C-N 123.389 0.431 . . . . 51.41 110.196 -174.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.13 -46.25 65.3 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 119.709 -0.186 . . . . 74.04 111.291 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -62.41 -31.33 71.99 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 119.002 -0.523 . . . . 75.31 112.24 -176.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 68.6 mt -59.21 -59.24 4.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 C-N-CA 125.015 1.326 . . . . 73.34 108.358 179.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -48.87 -43.23 38.71 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.336 1.054 . . . . 64.12 110.745 173.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -78.3 18.26 0.56 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.07 1.348 . . . . 75.32 113.86 -177.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.4 -34.42 1.39 Allowed 'General case' 0 C--O 1.234 0.281 0 C-N-CA 124.094 0.958 . . . . 63.35 112.515 168.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 pp -75.84 -166.77 0.61 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.245 1.018 . . . . 75.02 111.541 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -53.99 165.15 0.82 Allowed Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 124.717 1.207 . . . . 74.02 112.875 173.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -65.6 167.54 16.9 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 122.716 2.277 . . . . 55.25 112.182 171.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -66.04 147.01 83.88 Favored 'Trans proline' 0 N--CA 1.455 -0.752 0 C-N-CA 122.696 2.264 . . . . 74.22 112.333 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.91 125.47 29.4 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 127.473 2.309 . . . . 64.01 109.058 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.7 t -84.65 154.96 22.21 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.494 1.117 . . . . 72.23 109.419 177.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.44 13.98 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 C-N-CA 124.408 1.083 . . . . 62.21 111.621 -173.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.7 18.58 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.614 1.566 . . . . 71.41 109.811 177.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.8 30.31 63.93 Favored Glycine 0 C--N 1.344 1.02 0 C-N-CA 124.636 1.113 . . . . 75.34 113.677 -173.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.92 98.33 5.3 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 126.807 2.043 . . . . 75.1 109.117 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 m -69.78 117.87 11.93 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 107.553 -1.277 . . . . 74.4 107.553 175.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 30.1 mm -61.01 153.98 4.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 123.988 0.915 . . . . 74.33 108.766 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.01 159.88 18.68 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.036 0.935 . . . . 62.02 109.067 166.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.6 t -133.47 137.42 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 125.431 1.492 . . . . 75.15 108.205 -176.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -125.75 149.98 48.1 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.599 -0.889 . . . . 75.01 108.599 158.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -77.37 150.06 35.15 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 105.907 -1.886 . . . . 75.13 105.907 153.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.492 ' HB3' ' HB ' ' A' ' 5' ' ' THR . . . -133.16 74.57 1.57 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 106.759 -1.571 . . . . 74.44 106.759 170.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -102.16 107.93 19.16 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 113.645 -1.616 . . . . 75.04 107.301 175.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.67 -54.84 8.01 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 109.938 -1.265 . . . . 62.42 109.938 173.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 C--O 1.245 0.858 0 C-N-CA 125.336 1.454 . . . . 71.14 110.965 -177.787 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.863 0 N-CA-C 109.757 -1.337 . . . . 74.01 109.757 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -73.76 90.1 1.84 Allowed 'General case' 0 CA--C 1.528 0.101 0 CA-C-N 118.72 1.26 . . . . 64.21 108.098 165.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 59.4 mtp -88.38 102.61 15.04 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 106.596 -1.631 . . . . 70.31 106.596 -177.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 74.73 98.32 0.07 Allowed 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 128.2 2.6 . . . . 73.14 110.833 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.8 m -146.13 128.66 16.03 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 125.186 1.395 . . . . 62.3 107.945 172.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 55.3 mt -88.6 124.5 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 104.897 -2.26 . . . . 74.0 104.897 167.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.3 mt -92.37 145.55 7.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 106.942 -1.503 . . . . 64.22 106.942 172.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.0 mt -111.93 156.45 22.06 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 108.546 -0.909 . . . . 73.0 108.546 163.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.433 ' HB2' ' HB2' ' A' ' 81' ' ' ASN . 15.4 mtp180 -144.04 168.92 18.85 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 127.094 2.157 . . . . 63.01 108.634 -175.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.6 t30 59.24 30.95 20.79 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.806 1.242 . . . . 54.55 111.652 -176.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.49 HD23 ' HA ' ' A' ' 49' ' ' PHE . 0.8 OUTLIER -69.75 119.52 14.1 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 105.613 -1.995 . . . . 74.33 105.613 167.691 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -68.51 154.22 94.7 Favored Pre-proline 0 C--O 1.234 0.244 0 N-CA-C 106.994 -1.484 . . . . 62.14 106.994 170.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -74.71 -14.93 21.77 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 122.627 2.218 . . . . 74.25 112.953 -172.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -78.26 -22.14 48.78 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.208 0.603 . . . . 73.32 111.766 -176.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.5 m -82.59 168.81 16.97 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.941 -0.763 . . . . 72.21 108.941 165.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.491 HG23 ' H ' ' A' ' 17' ' ' MET . 7.2 t -125.64 -74.17 0.61 Allowed 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 106.128 -1.804 . . . . 64.32 106.128 173.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.491 ' H ' HG23 ' A' ' 16' ' ' THR . 9.8 ptt? -153.8 -48.0 0.09 Allowed 'General case' 0 CA--C 1.512 -0.518 0 C-N-CA 124.098 0.959 . . . . 74.32 109.323 178.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.97 -28.41 68.98 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.827 0.851 . . . . 54.31 112.292 -177.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 m -59.68 -35.5 74.59 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.55 1.14 . . . . 63.34 111.326 174.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.2 mp -93.4 -35.44 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.03 1.332 . . . . 73.31 108.718 -176.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.426 HD21 HG21 ' A' ' 35' ' ' VAL . 61.1 mt -59.44 -36.84 76.68 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-O 118.523 -0.751 . . . . 71.15 111.039 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.57 14.94 64.16 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-O 117.481 -1.733 . . . . 72.42 113.927 -178.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.16 -34.2 0.43 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.44 1.62 . . . . 74.12 113.758 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 tp -93.95 14.74 18.71 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.221 1.408 . . . . 72.24 111.254 -176.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.71 53.47 0.93 Allowed Pre-proline 0 CA--C 1.544 0.728 0 N-CA-C 114.752 1.39 . . . . 73.52 114.752 -170.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -70.41 -24.49 26.65 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 121.908 1.738 . . . . 65.03 112.909 169.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -124.9 -24.48 4.08 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 120.262 1.392 . . . . 70.44 113.784 -174.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.83 108.28 5.56 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 108.24 -1.022 . . . . 65.24 108.24 170.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.1 t -80.05 120.84 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 N-CA-C 106.283 -1.747 . . . . 64.31 106.283 160.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -97.2 -178.73 4.28 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.07 0.948 . . . . 65.42 111.03 169.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.0 m -110.47 160.35 16.68 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.39 1.476 . . . . 70.53 109.624 163.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.1 p -62.94 -24.66 67.97 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 121.179 -0.95 . . . . 73.43 111.614 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.5 p -56.02 -46.1 78.92 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.829 0.851 . . . . 71.53 110.964 170.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -83.89 -26.26 29.55 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 125.031 1.333 . . . . 65.34 109.768 -170.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.426 HG21 HD21 ' A' ' 21' ' ' LEU . 45.4 t -91.47 87.89 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 C-N-CA 124.6 1.16 . . . . 63.21 109.532 172.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.72 115.39 4.72 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.007 -0.997 . . . . 50.42 108.32 169.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.472 HG21 ' HB3' ' A' ' 17' ' ' MET . 46.6 t -117.04 131.66 69.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 125.196 1.398 . . . . 64.11 108.679 162.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.0 mt -87.9 130.24 37.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 105.429 -2.063 . . . . 44.34 105.429 163.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.42 147.46 35.19 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 108.45 -0.944 . . . . 72.34 108.45 168.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -65.74 161.06 21.58 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.465 1.106 . . . . 73.13 110.576 171.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.9 ttmt -115.02 14.68 17.19 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 120.422 -1.423 . . . . 72.42 113.025 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -130.35 -42.29 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 126.359 1.864 . . . . 63.0 110.198 -172.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.587 HG23 ' H ' ' A' ' 45' ' ' LEU . 14.5 t -102.39 -14.4 16.91 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.489 1.115 . . . . 71.34 109.288 173.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 73.11 -13.73 0.67 Allowed 'General case' 0 C--O 1.234 0.271 0 C-N-CA 127.187 2.195 . . . . 73.55 114.178 -170.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.587 ' H ' HG23 ' A' ' 43' ' ' THR . 30.8 mt -60.36 178.07 0.23 Allowed 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.181 1.355 . . . . 74.52 113.276 -170.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -95.0 164.73 12.77 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 120.349 -1.469 . . . . 73.43 109.192 169.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -78.55 -14.04 59.54 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.04 1.126 . . . . 74.11 114.04 -173.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.77 14.14 25.9 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 125.969 1.747 . . . . 73.03 113.832 -178.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.49 ' HA ' HD23 ' A' ' 11' ' ' LEU . 28.5 p90 -151.74 172.79 15.57 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 121.091 -1.24 . . . . 73.31 109.215 178.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -153.11 168.67 25.15 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.333 1.453 . . . . 73.02 108.693 170.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -131.2 120.24 22.99 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 124.846 1.259 . . . . 71.4 107.96 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.0 mt -91.97 118.11 36.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 126.853 2.061 . . . . 62.12 107.085 174.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.31 129.79 42.32 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.466 1.507 . . . . 65.32 107.195 173.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.9 mt -135.89 -154.86 0.59 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.025 1.73 . . . . 63.24 108.213 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 t -98.08 163.85 12.58 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.082 1.353 . . . . 71.3 108.544 173.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 58.3 p -61.74 -14.94 36.74 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.264 1.826 . . . . 74.24 115.22 -172.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.3 mt -118.02 -43.67 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 125.713 1.605 . . . . 74.43 108.5 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -56.62 -47.64 79.22 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 124.391 1.076 . . . . 74.21 110.09 -175.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.72 -53.05 43.66 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.463 0.574 . . . . 71.13 110.668 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.34 -51.44 68.81 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.109 0.963 . . . . 71.22 111.112 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -61.51 -49.83 75.17 Favored 'General case' 0 C--O 1.231 0.106 0 O-C-N 121.563 -0.711 . . . . 74.04 111.056 -175.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -44.47 96.21 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.49 1.116 . . . . 73.12 109.814 -177.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.9 tp -52.73 -46.52 67.46 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 109.989 -0.374 . . . . 73.21 109.989 178.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -62.62 -27.87 69.51 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 113.578 0.955 . . . . 61.4 113.578 -176.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 63.9 mt -61.51 -62.15 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 107.486 -1.301 . . . . 54.21 107.486 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -57.24 -30.34 64.54 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 118.759 0.709 . . . . 65.33 112.696 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -75.9 -25.99 56.58 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 121.682 -0.637 . . . . 72.14 112.397 176.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.19 -29.58 28.44 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 112.618 0.599 . . . . 73.03 112.618 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 pp -93.13 -163.43 1.05 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.039 1.336 . . . . 62.41 110.95 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -57.51 159.11 9.67 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 123.787 0.835 . . . . 73.22 111.586 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -63.34 167.49 12.82 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.414 2.743 . . . . 70.03 112.556 176.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -62.9 158.49 42.7 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.573 2.848 . . . . 73.42 111.966 -178.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.09 179.95 4.71 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 123.103 1.43 . . . . 74.44 111.707 175.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.58 152.72 50.56 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 126.833 2.053 . . . . 70.23 106.44 171.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -133.05 14.52 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 124.754 1.222 . . . . 44.22 110.327 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -173.94 28.0 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.918 0 O-C-N 120.927 -1.108 . . . . 65.34 111.16 -175.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.43 21.21 77.44 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-O 118.016 -1.435 . . . . 44.41 114.051 -173.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.493 ' HD3' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -116.86 109.86 17.62 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 120.468 2.134 . . . . 64.22 108.619 174.544 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 m -66.91 115.03 6.21 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 121.044 1.747 . . . . 72.04 107.53 170.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.3 mm -56.07 142.78 10.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 108.392 -0.966 . . . . 74.35 108.392 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.433 ' HB2' ' HB2' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -96.17 152.28 18.7 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 106.47 -1.678 . . . . 43.14 106.47 166.825 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.9 t -123.65 144.2 34.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 106.661 -1.607 . . . . 71.34 106.661 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -141.57 167.65 21.66 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 125.613 1.565 . . . . 64.22 108.996 173.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -126.85 95.34 4.29 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 124.734 1.214 . . . . 72.03 110.071 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.88 79.5 6.4 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 122.481 1.134 . . . . 42.14 108.437 169.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -94.8 90.94 6.23 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 124.594 1.158 . . . . 74.22 108.445 172.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.88 75.76 0.89 Allowed Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.406 -1.478 . . . . 53.51 109.406 167.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.1 m . . . . . 0 C--O 1.251 1.175 0 N-CA-C 108.285 -1.005 . . . . 64.0 108.285 154.956 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.616 0 N-CA-C 110.698 -0.961 . . . . 74.03 110.698 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 55.0 p-80 -141.61 69.2 1.33 Allowed 'General case' 0 C--O 1.231 0.113 0 CA-C-N 118.723 1.262 . . . . 75.21 108.714 171.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 60.3 mtt -58.49 128.51 37.52 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 107.423 -1.325 . . . . 72.23 107.423 168.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 75.25 94.53 0.07 Allowed 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 126.702 2.001 . . . . 63.0 112.279 164.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.1 m -144.72 143.07 30.52 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 106.201 -1.778 . . . . 74.14 106.201 170.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.4 mt -115.24 121.19 66.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 N-CA-C 103.787 -2.672 . . . . 61.03 103.787 174.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.498 ' HB ' ' HG3' ' A' ' 83' ' ' GLU . 26.2 mt -98.32 147.11 7.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 N-CA-C 105.642 -1.984 . . . . 63.35 105.642 177.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.403 ' HB3' HD21 ' A' ' 11' ' ' LEU . 10.9 mp -112.77 150.31 31.78 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 125.061 1.344 . . . . 60.42 107.379 173.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -134.14 170.28 15.91 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.377 1.071 . . . . 75.24 109.161 -177.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.7 t30 67.3 17.22 10.21 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 126.287 1.835 . . . . 70.14 112.17 178.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.572 HD23 ' HA ' ' A' ' 49' ' ' PHE . 0.6 OUTLIER -64.45 133.4 52.42 Favored 'General case' 0 N--CA 1.446 -0.652 0 O-C-N 119.727 -1.858 . . . . 74.43 106.95 171.707 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -69.16 157.37 89.47 Favored Pre-proline 0 N--CA 1.443 -0.816 0 C-N-CA 124.567 1.147 . . . . 75.11 109.235 169.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -59.78 -35.37 94.53 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.87 2.38 . . . . 75.11 111.239 176.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -77.03 -14.11 59.87 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.535 1.134 . . . . 65.31 113.346 -178.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.93 158.31 4.97 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 119.923 1.238 . . . . 74.22 109.698 -178.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.0 t -144.55 154.76 43.2 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 106.777 -1.564 . . . . 71.41 106.777 167.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.4 ptp -65.71 -29.23 69.74 Favored 'General case' 0 C--O 1.211 -0.933 0 C-N-CA 124.162 0.985 . . . . 73.55 109.451 -172.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -70.48 -33.2 70.97 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.583 0.706 . . . . 74.24 109.99 -178.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.8 t -78.78 -47.97 15.71 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.225 1.41 . . . . 43.32 108.66 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mt -55.15 -45.85 77.4 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 N-CA-C 109.166 -0.679 . . . . 62.13 109.166 171.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.2 mt -61.45 -20.35 63.03 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.189 0.904 . . . . 74.52 112.888 177.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.57 -15.07 57.5 Favored Glycine 0 CA--C 1.527 0.798 0 CA-C-N 119.195 0.907 . . . . 73.43 113.968 -178.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -142.6 12.98 1.93 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 119.143 1.471 . . . . 71.11 113.716 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.4 tp -129.11 29.26 5.19 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.763 1.225 . . . . 74.41 109.187 170.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.509 ' HB1' HG22 ' A' ' 29' ' ' VAL . . . -114.95 52.66 0.71 Allowed Pre-proline 0 CA--C 1.557 1.226 0 C-N-CA 124.421 1.088 . . . . 43.15 113.035 176.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.444 ' HG2' ' CE2' ' A' ' 27' ' ' TYR . 53.1 Cg_endo -77.7 -21.51 11.21 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.953 2.435 . . . . 74.25 114.563 173.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.444 ' CE2' ' HG2' ' A' ' 26' ' ' PRO . 1.7 m-85 -134.59 -58.12 0.83 Allowed 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.928 1.24 . . . . 74.03 109.685 -174.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.86 149.96 27.62 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.011 0.924 . . . . 60.04 109.453 176.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.509 HG22 ' HB1' ' A' ' 25' ' ' ALA . 3.2 t -144.2 101.68 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 106.461 -1.681 . . . . 75.25 106.461 -173.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -72.74 163.4 28.16 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 112.429 0.529 . . . . 71.23 112.429 -172.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.9 m -90.18 33.0 0.89 Allowed 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.363 1.465 . . . . 72.54 112.511 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.61 -61.95 0.39 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.851 1.66 . . . . 71.13 112.215 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 t -56.6 -34.71 67.48 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.628 1.558 . . . . 73.22 112.037 -177.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -52.92 -24.56 9.52 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.337 1.055 . . . . 71.44 112.908 177.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.6 t -98.9 133.54 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-O 122.035 0.921 . . . . 75.53 109.138 -173.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.09 86.89 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 126.577 1.951 . . . . 61.52 107.386 173.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.1 t -85.28 102.4 11.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 N-CA-C 104.852 -2.277 . . . . 73.22 104.852 161.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.4 mt -75.39 131.02 35.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 105.85 -1.907 . . . . 74.12 105.85 169.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -119.67 160.41 22.57 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.092 1.357 . . . . 75.45 110.457 169.788 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -79.02 158.53 27.89 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 112.039 0.385 . . . . 71.35 112.039 -169.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -30.53 65.41 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 114.764 1.394 . . . . 75.34 114.764 176.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -102.01 -52.72 3.1 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 108.489 -0.93 . . . . 71.43 108.489 -176.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.9 p -78.97 -17.97 54.51 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 120.618 -0.433 . . . . 61.42 111.1 -168.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 57.32 14.77 2.29 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.298 1.839 . . . . 75.42 112.579 -167.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.9 mt -96.67 150.05 21.11 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 123.467 0.707 . . . . 64.45 109.115 -177.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 5.7 m-20 -62.19 163.28 8.41 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 123.148 0.579 . . . . 62.33 110.923 -177.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -84.73 14.51 4.64 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.017 -1.052 . . . . 62.35 112.59 171.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.36 12.74 64.03 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 126.277 1.894 . . . . 55.14 115.956 173.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.572 ' HA ' HD23 ' A' ' 11' ' ' LEU . 8.0 p90 -141.84 163.0 34.08 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 126.117 1.767 . . . . 61.22 107.363 163.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -145.06 165.81 27.16 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.069 -1.086 . . . . 60.34 108.069 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -132.14 129.68 40.16 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.714 -1.587 . . . . 74.42 106.714 -170.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.3 mt -97.72 131.41 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 106.038 -1.838 . . . . 71.34 106.038 171.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -108.68 99.86 9.17 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 105.033 -2.21 . . . . 74.51 105.033 174.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.6 mt -120.07 171.66 8.3 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 124.313 1.045 . . . . 75.43 108.566 173.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 m -72.07 166.67 21.81 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 127.076 2.151 . . . . 63.03 111.727 -172.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.3 m -61.95 -32.98 73.45 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.968 0.907 . . . . 51.43 111.659 -174.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 58.9 mt -82.09 -53.94 10.82 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.156 0 O-C-N 121.532 -0.73 . . . . 75.34 109.127 170.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -65.18 -45.3 85.4 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 122.591 0.357 . . . . 71.13 111.288 -160.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.5 -48.7 79.88 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.385 -0.598 . . . . 75.44 109.385 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.72 -53.39 58.32 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.673 0.789 . . . . 73.42 111.139 179.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -58.98 -58.68 7.6 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 123.577 0.751 . . . . 51.3 109.899 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -52.01 -53.39 42.33 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.995 0.918 . . . . 71.23 109.15 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.468 HD21 HE21 ' A' ' 67' ' ' GLN . 1.2 tm? -51.81 -51.34 57.21 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 118.429 0.559 . . . . 75.24 110.176 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -61.09 -37.24 82.02 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 120.135 -0.626 . . . . 72.43 109.703 -171.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 57.6 mt -55.4 -53.68 33.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.76 1.224 . . . . 65.03 109.62 173.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -58.42 -26.95 63.84 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.653 1.115 . . . . 71.41 112.728 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.468 HE21 HD21 ' A' ' 63' ' ' LEU . 50.0 mm-40 -85.46 13.1 7.18 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.099 0.96 . . . . 61.13 112.612 -175.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -141.65 14.5 2.14 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.339 0.656 . . . . 71.01 112.246 -174.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 pp -142.99 -178.6 5.91 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.659 1.184 . . . . 65.01 112.274 -167.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -64.21 145.28 98.21 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 126.289 1.836 . . . . 71.31 112.877 -175.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -67.67 162.94 37.1 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 122.88 2.387 . . . . 61.04 113.443 -167.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -68.16 151.66 76.85 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.718 2.278 . . . . 72.53 112.027 -173.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -87.95 134.48 33.71 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.672 1.989 . . . . 70.11 107.239 175.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.8 t -83.9 161.33 20.89 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.069 -1.019 . . . . 65.14 110.856 -176.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -132.49 13.56 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 123.851 0.86 . . . . 73.31 110.949 -179.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -171.68 41.07 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 107.443 -1.317 . . . . 72.23 107.443 171.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.66 -13.72 1.6 Allowed Glycine 0 CA--C 1.534 1.272 0 O-C-N 120.269 -1.519 . . . . 71.45 115.058 -177.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.54 108.35 17.26 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 119.841 1.821 . . . . 72.54 111.28 178.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.93 128.64 37.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 121.009 1.732 . . . . 45.03 109.845 177.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.4 mm -66.83 165.2 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 124.119 0.968 . . . . 74.11 109.387 -177.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -130.06 158.18 40.32 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 126.078 1.751 . . . . 65.13 108.251 170.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.2 t -124.36 151.97 29.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 125.787 1.635 . . . . 54.32 108.026 -175.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.498 ' HG3' ' HB ' ' A' ' 7' ' ' ILE . 1.5 pt-20 -151.68 175.35 12.47 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.573 1.949 . . . . 74.04 110.571 168.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -134.21 89.05 2.52 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 125.847 1.659 . . . . 63.23 107.114 -173.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.61 64.32 8.45 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 107.471 -1.307 . . . . 62.23 107.471 174.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.93 74.78 6.66 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 106.484 -1.673 . . . . 75.01 106.484 177.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -75.23 72.13 1.69 Allowed Glycine 0 C--N 1.334 0.428 0 C-N-CA 125.704 1.621 . . . . 43.43 110.279 -173.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 116.543 -1.694 . . . . 73.41 110.036 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.604 0 N-CA-C 110.244 -1.142 . . . . 74.42 110.244 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -54.81 -35.85 64.34 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 122.973 0.509 . . . . 62.3 111.436 171.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.37 82.88 1.3 Allowed 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.005 -0.739 . . . . 72.12 109.005 173.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.509 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 0.2 OUTLIER 174.78 109.0 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.613 1.565 . . . . 62.21 107.792 167.887 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.4 m -133.03 140.63 47.83 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 125.791 1.637 . . . . 63.21 107.15 172.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 55.5 mt -104.96 136.94 36.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 N-CA-C 105.237 -2.134 . . . . 75.23 105.237 163.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.6 mp -110.63 157.53 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 106.855 -1.535 . . . . 73.32 106.855 168.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.475 HD23 HG21 ' A' ' 80' ' ' ILE . 5.1 mp -126.84 153.01 46.22 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.01 1.324 . . . . 73.53 107.512 176.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -132.3 163.96 27.5 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.375 -0.602 . . . . 62.12 109.375 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 62.6 t30 67.1 42.33 2.38 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.262 1.425 . . . . 72.31 111.911 177.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.75 112.04 18.55 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 106.978 -1.489 . . . . 64.12 106.978 174.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.447 ' HB2' ' HE3' ' A' ' 78' ' ' LYS . 1.6 m-20 -53.17 153.41 6.67 Favored Pre-proline 0 N--CA 1.471 0.586 0 N-CA-C 108.998 -0.741 . . . . 75.35 108.998 174.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -58.08 -38.12 92.94 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.843 2.362 . . . . 73.41 110.929 175.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -62.0 -13.7 28.23 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.845 2.058 . . . . 74.15 115.51 175.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.0 m -84.14 166.33 17.71 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 120.205 1.366 . . . . 60.34 110.326 176.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.512 HG23 ' H ' ' A' ' 17' ' ' MET . 10.2 t -147.29 -74.69 0.2 Allowed 'General case' 0 C--O 1.233 0.19 0 O-C-N 121.507 -0.746 . . . . 73.52 109.101 173.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.512 ' H ' HG23 ' A' ' 16' ' ' THR . 53.4 ttp -160.67 -57.22 0.05 Allowed 'General case' 0 CA--C 1.508 -0.666 0 C-N-CA 126.181 1.793 . . . . 72.33 108.596 178.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -56.59 -35.92 68.79 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.541 -0.754 . . . . 42.44 110.398 -176.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.3 m -83.18 23.19 0.9 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 123.229 1.49 . . . . 65.53 114.801 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 54.9 mt -135.11 -47.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 C-N-CA 128.336 2.654 . . . . 70.25 106.967 177.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.5 mt -65.72 -15.64 63.01 Favored 'General case' 0 C--O 1.226 -0.163 0 N-CA-C 114.628 1.344 . . . . 71.35 114.628 -174.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -88.08 -13.94 63.34 Favored Glycine 0 CA--C 1.531 1.034 0 CA-C-O 119.0 -0.889 . . . . 63.44 113.68 171.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.44 ' HB3' HG12 ' A' ' 75' ' ' ILE . . . -134.47 -16.17 2.1 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 114.732 1.382 . . . . 61.11 114.732 -161.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.5 tp -113.21 22.47 14.26 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.566 1.946 . . . . 74.51 109.33 174.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -123.61 55.18 8.24 Favored Pre-proline 0 CA--C 1.543 0.675 0 C-N-CA 125.764 1.626 . . . . 71.14 111.99 -174.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -69.15 -48.54 0.82 Allowed 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 121.997 1.798 . . . . 64.33 110.825 170.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -104.43 -24.23 13.08 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.963 1.705 . . . . 61.42 113.607 -177.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -137.3 102.07 4.7 Favored 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 123.295 0.638 . . . . 45.13 110.635 -178.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.1 t -69.9 129.12 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 N-CA-C 105.582 -2.007 . . . . 64.53 105.582 151.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.7 mt -98.4 161.31 13.75 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.672 -1.233 . . . . 74.24 107.672 165.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.3 m -72.01 -69.38 0.4 Allowed 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 108.547 -0.908 . . . . 60.44 108.547 -172.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.4 m 174.92 -46.59 0.01 OUTLIER 'General case' 0 C--O 1.227 -0.103 0 C-N-CA 130.042 3.337 . . . . 62.35 107.187 168.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.5 p -61.64 -24.24 66.59 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.886 0.767 . . . . 75.32 112.449 -177.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -53.02 -34.29 55.69 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 125.486 1.514 . . . . 71.51 112.321 171.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.4 t -97.4 109.47 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 123.68 0.792 . . . . 72.51 108.946 -166.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.57 123.65 38.13 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 107.934 -1.136 . . . . 73.15 107.934 170.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.416 HG22 ' HB1' ' A' ' 50' ' ' ALA . 10.6 t -128.43 111.42 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 106.447 -1.686 . . . . 72.13 106.447 169.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.3 mt -64.41 116.1 3.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 106.264 -1.754 . . . . 73.23 106.264 174.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.82 147.64 26.63 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.9 -1.148 . . . . 71.53 107.9 170.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.65 164.75 9.2 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.605 0.595 . . . . 74.25 112.605 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -79.68 -52.29 8.14 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 121.4 -0.813 . . . . 64.44 110.828 170.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.81 -50.43 7.14 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 109.252 -0.647 . . . . 73.55 109.252 -175.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.7 p -81.46 -16.7 51.18 Favored 'General case' 0 C--N 1.334 -0.079 0 C-N-CA 119.444 -0.902 . . . . 61.53 110.995 -166.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 66.04 14.63 9.71 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 127.307 2.243 . . . . 62.35 113.375 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.9 mt -111.65 158.27 19.46 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 120.083 1.31 . . . . 64.13 111.439 -172.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -60.67 156.9 15.7 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.585 0.754 . . . . 71.52 109.675 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -82.3 16.04 2.19 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.977 0.732 . . . . 63.33 112.977 173.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.93 13.08 82.84 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 125.445 1.498 . . . . 55.13 114.799 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -147.55 162.27 39.42 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 125.438 1.495 . . . . 72.11 108.551 171.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.416 ' HB1' HG22 ' A' ' 37' ' ' VAL . . . -148.92 171.3 16.55 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 126.059 1.744 . . . . 74.43 109.176 -175.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -141.59 153.98 45.14 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.317 1.447 . . . . 74.25 108.809 -172.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.9 mt -130.52 130.39 64.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 C-N-CA 127.716 2.407 . . . . 75.31 108.566 175.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.76 121.63 45.66 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 126.373 1.869 . . . . 72.25 107.37 177.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.725 ' HB2' ' HB2' ' A' ' 59' ' ' ALA . 22.1 mt -137.81 179.39 6.46 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 126.548 1.939 . . . . 71.35 108.994 -177.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.5 t -65.87 165.88 12.2 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.716 0.807 . . . . 61.33 110.435 170.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 59.9 m -54.35 -24.62 20.16 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 131.458 3.903 . . . . 64.32 116.167 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.4 mm -119.33 -31.52 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 124.424 1.09 . . . . 75.03 109.911 -173.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -66.53 -49.9 64.96 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 125.026 1.331 . . . . 52.25 110.686 -174.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.725 ' HB2' ' HB2' ' A' ' 54' ' ' LEU . . . -59.32 -45.75 90.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.575 -0.726 . . . . 75.54 109.242 -179.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.78 -64.86 0.73 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.784 0.834 . . . . 74.02 110.484 174.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -51.34 -53.45 36.0 Favored 'General case' 0 N--CA 1.461 0.1 0 CA-C-N 118.76 0.709 . . . . 72.44 111.01 -175.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.62 -41.57 83.75 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.997 0.362 . . . . 72.44 110.914 -175.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -53.74 -48.12 69.97 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 121.489 -0.757 . . . . 75.22 109.372 174.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -59.89 -38.54 82.55 Favored 'General case' 0 N--CA 1.445 -0.689 0 O-C-N 123.95 0.781 . . . . 64.02 108.98 -170.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . 0.28 73.6 mt -47.63 -67.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.127 0 C-N-CA 126.291 1.836 . . . . 74.13 110.383 173.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -58.88 -20.63 53.09 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.761 1.164 . . . . 74.03 113.654 -177.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -95.12 -14.73 23.92 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.311 -0.868 . . . . 61.15 112.085 -178.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -115.8 14.55 16.32 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.848 1.259 . . . . 72.15 111.631 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.2 pp -135.24 138.66 43.77 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 107.926 -1.138 . . . . 63.41 107.926 164.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . 0.27 0.6 OUTLIER 49.75 166.93 0.03 OUTLIER Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 127.494 2.317 . . . . 70.45 116.499 160.361 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -73.01 155.32 52.83 Favored 'Trans proline' 0 N--CA 1.448 -1.174 0 O-C-N 118.718 -1.254 . . . . 71.24 109.442 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -61.51 149.31 90.24 Favored 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 122.367 2.045 . . . . 71.05 111.457 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.79 HD13 ' H ' ' A' ' 74' ' ' THR . 0.4 OUTLIER -94.36 174.46 7.12 Favored 'General case' 0 C--O 1.238 0.5 0 C-N-CA 125.197 1.399 . . . . 72.33 108.032 -171.509 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.79 ' H ' HD13 ' A' ' 73' ' ' LEU . 8.2 t -148.13 156.66 42.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.162 -0.961 . . . . 71.22 109.24 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.44 HG12 ' HB3' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -131.79 14.49 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 124.025 0.93 . . . . 73.45 110.128 177.183 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -166.82 31.21 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.332 -0.855 . . . . 74.45 111.848 177.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.56 13.49 31.11 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 126.028 1.775 . . . . 64.15 114.935 -170.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.447 ' HE3' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -101.37 107.04 18.27 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 125.398 1.479 . . . . 71.23 108.724 168.828 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.4 112.69 4.17 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 108.293 -1.003 . . . . 72.13 108.293 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.475 HG21 HD23 ' A' ' 8' ' ' LEU . 28.0 mm -76.5 121.85 29.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 N-CA-C 107.413 -1.329 . . . . 72.54 107.413 -173.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -76.81 157.96 31.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.313 -0.858 . . . . 74.12 108.844 172.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.6 t -140.49 134.34 34.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 106.841 -1.54 . . . . 60.05 106.841 -175.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -132.71 167.0 20.9 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 127.237 2.215 . . . . 72.13 109.446 -173.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -136.67 80.72 1.83 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.982 0.913 . . . . 61.01 109.59 -168.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.36 86.11 7.4 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 122.713 1.244 . . . . 55.34 108.607 174.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -70.75 144.62 50.86 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.929 -1.138 . . . . 53.15 107.929 168.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.72 100.3 0.82 Allowed Glycine 0 CA--C 1.519 0.296 0 N-CA-C 106.945 -2.462 . . . . 73.03 106.945 170.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 C--O 1.256 1.443 0 N-CA-C 104.271 -2.492 . . . . 73.45 104.271 -179.181 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.77 0 N-CA-C 108.702 -1.759 . . . . 64.42 108.702 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -130.22 -72.47 0.57 Allowed 'General case' 0 C--N 1.341 0.237 0 CA-C-N 118.548 1.174 . . . . 75.43 111.43 178.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.9 ttm -167.24 93.07 0.42 Allowed 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 103.414 -2.81 . . . . 74.43 103.414 174.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 42.63 83.23 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 131.038 3.735 . . . . 71.31 107.757 168.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 51.6 m -126.95 124.14 38.78 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.998 1.319 . . . . 63.32 108.27 -170.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.2 mt -95.42 122.79 47.21 Favored 'Isoleucine or valine' 0 C--N 1.34 0.154 0 N-CA-C 106.922 -1.51 . . . . 74.32 106.922 175.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.7 mp -99.43 140.49 18.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 107.931 -1.137 . . . . 72.55 107.931 173.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.9 mt -103.98 160.29 14.94 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 124.456 1.102 . . . . 74.52 109.056 171.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.457 ' HB2' ' HB2' ' A' ' 81' ' ' ASN . 13.3 mtp180 -140.74 175.4 9.64 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.049 1.74 . . . . 73.52 108.409 -176.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.3 t30 49.62 42.0 22.48 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 122.881 1.324 . . . . 74.3 111.181 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.573 HD23 HD12 ' A' ' 80' ' ' ILE . 40.7 mt -84.19 121.84 28.03 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 104.564 -2.384 . . . . 71.34 104.564 170.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.659 ' H ' ' HE2' ' A' ' 78' ' ' LYS . 1.3 m-20 -69.98 152.45 95.89 Favored Pre-proline 0 CA--C 1.519 -0.235 0 N-CA-C 108.194 -1.039 . . . . 54.21 108.194 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.508 ' HB2' HD22 ' A' ' 45' ' ' LEU . 57.5 Cg_endo -63.1 -32.12 75.26 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 123.383 2.722 . . . . 75.5 111.644 178.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 -69.63 -12.96 62.06 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.454 1.902 . . . . 65.51 113.675 174.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.2 m -80.75 153.88 27.54 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 122.584 1.183 . . . . 32.21 110.919 170.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.8 t -121.34 168.63 11.44 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 128.851 2.86 . . . . 53.21 104.634 166.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.0 ttp -46.1 -52.9 11.26 Favored 'General case' 0 C--O 1.211 -0.934 0 C-N-CA 125.608 1.563 . . . . 72.31 107.508 169.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -64.3 -16.06 61.42 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.43 1.27 . . . . 74.3 114.43 -172.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.95 -56.29 4.8 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.717 0.77 . . . . 63.34 109.4 168.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.2 mt -72.08 -52.7 23.15 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.216 0 N-CA-C 108.471 -0.937 . . . . 73.22 108.471 -170.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.6 tp -62.28 -20.87 64.73 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 124.026 0.93 . . . . 62.01 112.704 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -99.01 14.02 61.68 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 117.685 -1.62 . . . . 63.23 114.641 176.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -149.28 -34.98 0.18 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 120.133 1.966 . . . . 63.01 113.09 178.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.8 tp -78.24 18.25 0.55 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.998 1.319 . . . . 61.23 110.691 176.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.87 57.06 1.7 Allowed Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 125.436 1.494 . . . . 51.11 112.215 -178.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.92 -34.67 6.31 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 121.779 1.652 . . . . 71.14 112.356 170.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -124.92 -23.83 4.2 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.829 0.851 . . . . 73.04 112.769 -172.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.5 ' CB ' HD21 ' A' ' 62' ' ' LEU . . . -133.29 110.86 10.37 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.551 0.74 . . . . 74.42 109.933 168.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.0 t -83.72 122.77 38.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 N-CA-C 106.052 -1.833 . . . . 73.03 106.052 158.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -95.42 166.05 12.06 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.3 1.04 . . . . 75.32 109.481 165.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.4 t -81.96 161.61 22.99 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.697 0.761 . . . . 72.44 110.525 163.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -56.19 -41.09 75.01 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.527 1.531 . . . . 72.13 111.815 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 t -62.94 -34.51 77.63 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.046 -1.034 . . . . 62.41 110.815 -176.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -72.52 -14.63 61.69 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.957 1.703 . . . . 75.01 111.016 -178.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.9 t -122.63 88.66 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.308 0 C-N-CA 125.277 1.431 . . . . 75.1 110.33 -171.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.07 100.71 5.79 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 121.204 -0.935 . . . . 74.02 109.565 -178.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.8 t -91.65 108.39 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 125.134 1.374 . . . . 54.34 107.939 169.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.5 mt -69.53 141.16 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 108.028 -1.101 . . . . 63.51 108.028 170.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.38 142.23 51.19 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 124.181 0.992 . . . . 73.51 109.656 167.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.49 164.91 24.33 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 118.657 0.662 . . . . 75.14 111.621 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -83.56 -59.88 2.3 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.195 -0.669 . . . . 71.3 109.195 177.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.86 -53.47 53.63 Favored 'General case' 0 C--O 1.233 0.184 0 O-C-N 123.711 0.632 . . . . 75.12 109.298 -168.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.3 p -78.5 -22.13 47.88 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.711 0.404 . . . . 71.24 110.765 -174.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 66.14 -13.3 0.16 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.709 1.604 . . . . 73.43 113.458 -169.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.508 HD22 ' HB2' ' A' ' 13' ' ' PRO . 51.7 mt -65.11 -167.53 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 129.508 3.123 . . . . 72.43 111.107 176.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -105.22 168.82 8.82 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.822 1.249 . . . . 61.2 112.33 175.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.7 -13.65 41.94 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.766 1.626 . . . . 64.4 112.096 177.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.17 13.33 56.3 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 124.387 0.994 . . . . 63.22 114.251 169.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -142.41 161.07 39.0 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 125.505 1.522 . . . . 71.31 107.727 170.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -158.71 165.31 34.66 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 124.317 1.047 . . . . 52.43 109.333 -177.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -125.39 111.03 14.66 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 124.763 1.225 . . . . 72.21 109.829 -160.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.9 mt -87.28 128.8 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 125.813 1.645 . . . . 74.4 107.727 169.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.25 142.8 48.72 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.959 1.303 . . . . 73.21 109.019 170.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.0 mt -147.17 179.61 7.51 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.012 1.725 . . . . 74.35 109.073 -177.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.47 160.51 8.75 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 109.067 -0.716 . . . . 72.23 109.067 162.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 p -61.03 -60.88 3.08 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.131 0.572 . . . . 55.43 110.166 -172.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.0 mt -62.38 -42.86 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-O 118.036 -0.983 . . . . 71.04 110.823 178.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -49.55 -57.23 7.49 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 123.84 0.856 . . . . 74.34 109.745 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.92 -53.66 55.7 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.015 1.326 . . . . 72.32 110.237 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.59 -49.73 76.64 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 125.09 1.356 . . . . 72.13 110.986 -172.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -60.5 -53.05 62.26 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 118.671 -0.681 . . . . 72.35 109.855 175.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.5 HD21 ' CB ' ' A' ' 28' ' ' ALA . 38.5 tp -53.34 -44.77 68.75 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 123.62 0.768 . . . . 73.32 111.193 -173.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.0 tp -51.67 -52.13 50.45 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 118.392 0.542 . . . . 62.0 111.055 174.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -66.16 -26.1 67.26 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 122.926 0.49 . . . . 72.41 111.538 -174.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.03 -60.17 3.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 107.787 -1.19 . . . . 65.14 107.787 171.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.09 -19.68 63.22 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.16 1.384 . . . . 64.12 113.243 -179.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -91.51 12.83 19.51 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 120.314 1.415 . . . . 74.13 112.653 176.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.85 -45.55 1.59 Allowed 'General case' 0 C--O 1.234 0.286 0 O-C-N 121.427 -0.796 . . . . 52.44 111.579 -174.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 pp -72.38 -171.03 0.72 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.263 1.425 . . . . 65.03 111.328 172.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -53.05 165.29 0.61 Allowed Pre-proline 0 CA--C 1.546 0.806 0 C-N-CA 128.492 2.717 . . . . 63.41 115.457 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -67.28 164.29 31.07 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.612 2.208 . . . . 42.31 112.184 178.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -67.77 153.12 76.62 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 122.763 2.308 . . . . 71.1 112.887 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -82.8 126.99 33.04 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 128.003 2.521 . . . . 50.11 108.294 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.98 146.67 23.67 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.587 1.155 . . . . 74.31 108.186 -177.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.16 13.68 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 122.884 0.473 . . . . 71.32 111.516 -174.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.444 ' CB ' ' HE3' ' A' ' 78' ' ' LYS . 0.4 OUTLIER -169.32 33.82 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.621 1.168 . . . . 72.52 109.313 176.499 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.59 24.19 67.66 Favored Glycine 0 CA--C 1.533 1.174 0 O-C-N 120.525 -1.359 . . . . 74.1 113.918 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.659 ' HE2' ' H ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -120.64 113.39 20.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 127.668 2.387 . . . . 72.2 108.296 175.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.53 123.44 25.47 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 119.0 -1.08 . . . . 72.52 108.869 176.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.573 HD12 HD23 ' A' ' 11' ' ' LEU . 14.3 mm -64.58 164.51 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 124.538 1.135 . . . . 71.14 108.672 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.457 ' HB2' ' HB2' ' A' ' 9' ' ' ARG . 1.1 m-80 -129.9 157.12 43.14 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 126.562 1.945 . . . . 42.33 106.41 176.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 39.8 t -119.51 134.86 61.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 106.493 -1.669 . . . . 75.21 106.493 -173.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -134.1 161.24 35.42 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 123.899 0.88 . . . . 74.53 109.526 170.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -135.97 91.42 2.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.431 -1.259 . . . . 64.24 109.661 -172.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.12 76.31 3.48 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 122.214 1.007 . . . . 55.22 109.3 178.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -67.59 144.27 55.67 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.251 -0.648 . . . . 75.01 109.251 -175.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.64 85.94 1.25 Allowed Glycine 0 CA--C 1.52 0.368 0 N-CA-C 108.911 -1.675 . . . . 72.03 108.911 162.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.254 1.336 0 N-CA-C 107.649 -1.241 . . . . 62.22 107.649 166.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.643 0 N-CA-C 110.601 -1.0 . . . . 72.21 110.601 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 11.6 m80 55.05 170.81 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.172 1.789 . . . . 61.34 112.581 -165.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 41.8 mtm -66.43 109.7 2.83 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 107.351 -1.351 . . . . 63.41 107.351 148.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 57.99 84.68 0.1 Allowed 'General case' 0 C--O 1.237 0.415 0 C-N-CA 127.626 2.37 . . . . 75.21 112.725 154.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.8 m -101.03 109.28 21.16 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.646 -0.706 . . . . 54.5 109.416 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.9 mt -79.18 114.49 20.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 N-CA-C 105.427 -2.064 . . . . 72.41 105.427 166.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.3 mt -84.75 137.02 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 108.832 -0.803 . . . . 63.1 108.832 174.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.6 mt -106.59 159.22 16.35 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 124.311 1.044 . . . . 70.12 109.369 170.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 mtp-105 -139.53 172.52 12.69 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 125.261 1.424 . . . . 72.41 110.089 172.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.6 t30 73.07 14.3 4.7 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.728 2.011 . . . . 63.25 112.941 172.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.424 ' CD2' ' H ' ' A' ' 11' ' ' LEU . 1.2 mm? -55.83 125.16 20.14 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 120.515 -1.366 . . . . 72.22 108.967 175.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -69.93 157.96 88.44 Favored Pre-proline 0 C--O 1.236 0.394 0 CA-C-N 118.012 0.369 . . . . 74.23 110.428 176.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -65.08 -27.35 57.39 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 123.372 2.714 . . . . 64.12 112.316 -170.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -114.16 14.11 18.14 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.75 1.22 . . . . 74.25 112.244 -178.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 t -75.94 -24.23 55.49 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.215 -0.928 . . . . 71.34 113.392 -177.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.347 5.3 t 44.45 -164.59 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 128.069 2.548 . . . . 71.22 111.06 -164.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.0 ptm -91.89 -38.55 12.24 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 128.038 2.535 . . . . 61.32 106.148 162.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -71.72 -13.17 61.64 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 125.684 1.593 . . . . 74.15 112.57 -164.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.2 m -122.5 23.61 9.57 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.078 1.351 . . . . 72.21 111.026 175.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 56.6 mt -120.27 -39.61 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 126.861 2.064 . . . . 72.11 110.38 161.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.95 -40.86 45.15 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.863 1.265 . . . . 51.04 112.599 -167.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.1 -18.46 76.57 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-O 118.901 -0.944 . . . . 71.43 114.208 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.44 13.28 11.79 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 118.961 1.381 . . . . 61.52 112.86 -175.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 tt -126.44 39.46 3.93 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.301 1.041 . . . . 74.53 109.133 169.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.25 54.36 14.38 Favored Pre-proline 0 CA--C 1.549 0.909 0 N-CA-C 114.132 1.16 . . . . 70.11 114.132 -176.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -79.89 -21.79 8.0 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 123.123 2.549 . . . . 52.25 114.636 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.497 ' HB2' HD21 ' A' ' 62' ' ' LEU . 15.8 m-85 -132.61 -24.94 1.94 Allowed 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.82 0.737 . . . . 71.53 112.654 -172.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.438 ' HB2' ' CD2' ' A' ' 62' ' ' LEU . . . -136.37 123.35 21.47 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 104.995 -2.224 . . . . 62.44 104.995 178.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.4 t -96.6 71.64 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 107.569 -1.271 . . . . 63.1 107.569 -169.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.0 mt -55.37 158.91 2.96 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 126.919 2.088 . . . . 75.31 111.89 -171.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.2 t -118.95 161.96 19.32 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 122.407 1.099 . . . . 71.32 111.638 170.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 m -52.12 -24.08 6.39 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 128.126 2.57 . . . . 75.4 112.481 173.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 p -77.53 -53.77 7.21 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.101 1.36 . . . . 72.41 111.386 175.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -55.48 -42.55 74.54 Favored 'General case' 0 CA--C 1.51 -0.566 0 C-N-CA 125.189 1.395 . . . . 74.14 111.161 -175.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.6 t -81.2 112.57 19.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.864 0 N-CA-C 106.499 -1.667 . . . . 62.14 106.499 178.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.1 mmt-85 -92.05 126.99 37.35 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.978 1.311 . . . . 74.52 108.076 163.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.8 t -129.19 113.33 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 126.879 2.072 . . . . 61.41 107.761 170.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.3 mt -68.19 104.52 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 N-CA-C 105.746 -1.946 . . . . 71.12 105.746 172.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -85.62 132.93 34.08 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.222 -1.399 . . . . 61.4 107.222 168.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.45 137.07 57.21 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 122.736 0.414 . . . . 74.21 110.478 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -65.29 -31.88 73.25 Favored 'General case' 0 CA--C 1.516 -0.344 0 O-C-N 121.304 -0.872 . . . . 62.23 113.35 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -86.79 -55.05 4.03 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.34 -0.985 . . . . 63.42 108.34 -171.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.436 HG23 ' H ' ' A' ' 45' ' ' LEU . 14.9 t -89.65 -14.15 35.47 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 119.023 -0.513 . . . . 74.54 110.888 -168.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 72.32 -13.06 0.65 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.924 1.29 . . . . 72.34 112.557 -170.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.436 ' H ' HG23 ' A' ' 43' ' ' THR . 17.9 mt -65.71 178.25 1.07 Allowed 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 120.269 1.395 . . . . 74.45 111.327 178.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -88.18 176.41 7.27 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.98 1.312 . . . . 53.32 109.559 166.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -95.46 15.73 18.87 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.662 1.185 . . . . 72.2 113.655 175.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.34 14.49 71.74 Favored Glycine 0 CA--C 1.533 1.185 0 O-C-N 120.231 -1.543 . . . . 61.21 114.218 176.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.42 ' HA ' HD23 ' A' ' 11' ' ' LEU . 37.5 p90 -142.75 171.41 14.09 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 126.219 1.808 . . . . 70.21 107.754 169.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -148.01 171.28 16.07 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 124.602 1.161 . . . . 65.32 108.726 169.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -131.83 100.24 5.02 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.823 1.649 . . . . 74.41 106.795 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.7 mt -78.36 135.97 24.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 105.67 -1.974 . . . . 73.51 105.67 165.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.2 142.49 33.99 Favored 'General case' 0 N--CA 1.432 -1.371 0 CA-C-N 120.234 1.379 . . . . 72.11 108.434 164.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.9 mt -132.65 -171.04 2.56 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 125.064 1.345 . . . . 63.53 108.716 -166.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.48 147.46 3.35 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.915 -0.402 . . . . 74.14 109.915 150.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.1 p -47.38 -68.28 0.2 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.968 2.107 . . . . 54.31 111.465 177.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.9 mm -61.87 -39.54 83.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 125.397 1.479 . . . . 71.34 110.007 -176.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.46 -53.6 56.53 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.512 0.725 . . . . 75.32 110.047 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.54 -55.48 34.46 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.642 0.777 . . . . 71.41 111.095 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.2 -30.27 69.31 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 112.882 0.697 . . . . 61.23 112.882 -167.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -70.78 -57.46 4.62 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-N 119.275 0.943 . . . . 74.02 109.251 170.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 27' ' ' TYR . 1.0 OUTLIER -52.29 -45.39 65.47 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 124.525 1.13 . . . . 72.01 110.381 -170.226 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.0 tp -46.41 -53.5 10.93 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.095 0.958 . . . . 73.23 110.787 177.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -65.55 -34.85 79.21 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 118.637 -0.697 . . . . 73.14 112.07 -174.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 56.3 mt -54.1 -54.6 19.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 107.209 -1.404 . . . . 73.34 107.209 174.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.6 mt -59.14 -28.73 66.83 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.229 0.826 . . . . 63.22 113.229 -177.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -86.05 14.24 6.53 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.886 0.874 . . . . 74.04 112.337 -173.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -144.06 14.47 1.68 Allowed 'General case' 0 C--O 1.238 0.458 0 N-CA-C 113.989 1.107 . . . . 63.24 113.989 -172.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 pp -139.3 -173.96 3.74 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.483 1.113 . . . . 73.43 110.991 -172.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -46.66 158.47 0.41 Allowed Pre-proline 0 CA--C 1.538 0.504 0 C-N-CA 125.84 1.656 . . . . 62.15 112.43 176.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -69.66 164.92 32.64 Favored 'Trans proline' 0 CA--C 1.544 0.976 0 C-N-CA 121.518 1.479 . . . . 74.41 112.153 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -70.17 161.59 45.43 Favored 'Trans proline' 0 CA--C 1.544 1.016 0 C-N-CA 122.232 1.954 . . . . 73.25 113.391 -176.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.467 ' C ' HD13 ' A' ' 73' ' ' LEU . 3.4 tm? -98.2 116.04 29.58 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 129.409 3.084 . . . . 64.25 108.976 -172.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.26 146.14 25.49 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.486 1.115 . . . . 65.55 109.121 -178.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -128.44 16.73 2.93 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 C-N-CA 124.785 1.234 . . . . 72.32 111.187 178.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -161.39 37.74 0.14 Allowed 'General case' 0 N--CA 1.482 1.162 0 O-C-N 120.028 -1.67 . . . . 71.25 108.523 168.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.99 14.09 58.37 Favored Glycine 0 CA--C 1.537 1.458 0 O-C-N 120.652 -1.28 . . . . 54.02 115.826 -173.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.453 ' CD ' ' H ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -117.42 98.09 6.23 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 120.54 2.17 . . . . 73.53 109.59 -175.554 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.79 116.66 5.0 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 120.098 -1.626 . . . . 74.41 109.423 177.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.7 mm -66.4 165.22 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 124.997 1.319 . . . . 73.31 109.683 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -126.5 168.71 13.87 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 125.298 1.439 . . . . 74.3 110.906 -176.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.3 t -128.69 140.79 48.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 N-CA-C 107.974 -1.121 . . . . 62.34 107.974 -177.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -148.93 165.23 32.19 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 127.839 2.456 . . . . 63.42 106.55 171.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -137.83 104.12 5.19 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.842 0.857 . . . . 74.2 111.459 -169.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.3 84.15 1.89 Allowed 'General case' 0 C--O 1.234 0.254 0 C-N-CA 125.17 1.388 . . . . 74.33 108.347 175.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.18 75.13 6.21 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.808 1.243 . . . . 73.44 107.892 176.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.56 75.3 2.4 Favored Glycine 0 CA--C 1.528 0.849 0 CA-C-O 118.851 -0.972 . . . . 62.42 111.704 -174.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 C--O 1.247 0.966 0 C-N-CA 125.77 1.628 . . . . 54.3 113.164 176.549 . . . . . . . . 0 0 . 1 stop_ save_