data_1k0x_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1k0x _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.382 0 CA-C-O 119.652 -0.527 . . . . 0.0 112.397 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -85.64 122.14 2.3 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.746 2.298 . . . . 0.0 113.132 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 34.7 mtm -118.28 160.06 40.95 Favored Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.645 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -61.59 125.3 16.43 Favored 'Trans proline' 0 C--N 1.37 1.684 0 C-N-CA 121.765 1.644 . . . . 0.0 111.35 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -51.67 136.48 27.0 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.182 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.425 ' H ' HD22 ' A' ' 7' ' ' LEU . 3.8 mm? -69.34 -31.38 69.79 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.588 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -152.05 -175.79 5.39 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.185 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -114.26 -45.81 3.02 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.391 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -125.99 156.57 39.63 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.124 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.3 pttt -134.64 177.76 7.53 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.49 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.5 mt -121.03 138.72 54.04 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.207 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 78.3 m -140.46 172.83 12.17 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.491 0.495 . . . . 0.0 110.7 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.507 ' HB2' ' HE2' ' A' ' 92' ' ' LYS . . . -79.04 -31.9 44.75 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.885 0.374 . . . . 0.0 110.153 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -137.12 169.89 17.02 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.903 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -69.33 -12.64 61.84 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.393 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -90.09 -19.25 24.55 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.539 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.7 m 57.78 28.72 16.34 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 121.481 0.658 . . . . 0.0 110.23 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.6 t -94.65 -8.23 38.55 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.258 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -102.31 151.4 38.13 Favored Pre-proline 0 CA--C 1.536 0.427 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.175 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -91.33 120.43 0.63 Allowed 'Trans proline' 0 C--N 1.368 1.554 0 C-N-CA 122.876 2.384 . . . . 0.0 111.928 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.8 mt -63.93 -62.12 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.026 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.0 m -141.51 145.26 34.95 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.229 0.537 . . . . 0.0 112.306 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -88.71 121.56 31.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 114.9 -1.045 . . . . 0.0 108.676 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -122.07 150.86 41.54 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -178.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.4 t -104.0 141.94 18.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.269 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.15 132.62 35.08 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.221 0.326 . . . . 0.0 111.628 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.2 mp -102.73 -16.51 15.96 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -151.77 -179.86 7.81 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -88.0 152.44 22.04 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.018 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -151.35 134.74 16.12 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.142 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 64.1 mtt -109.39 133.44 53.06 Favored 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.27 0.356 . . . . 0.0 110.379 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.34 110.14 31.4 Favored Pre-proline 0 CA--C 1.537 0.47 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -78.46 -56.43 0.04 OUTLIER 'Trans proline' 0 C--N 1.364 1.37 0 C-N-CA 122.679 2.253 . . . . 0.0 112.288 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -91.26 167.06 12.59 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.486 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.1 t -58.28 -40.35 81.69 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.974 -1.012 . . . . 0.0 113.232 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.408 ' HB3' HH11 ' A' ' 37' ' ' ARG . 0.0 OUTLIER -79.78 2.71 21.93 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -178.163 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -100.9 155.84 17.72 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 117.744 0.247 . . . . 0.0 110.902 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.481 HD12 HG23 ' A' ' 65' ' ' VAL . 5.6 mt -117.57 140.62 49.38 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.6 m -89.59 122.16 32.47 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.47 HD11 HD12 ' A' ' 84' ' ' ILE . 76.9 mt -128.62 122.82 58.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -89.26 160.76 16.76 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.222 178.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 70.2 ttt-85 -63.97 117.23 6.73 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.348 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.45 0.16 46.73 Favored Glycine 0 C--N 1.339 0.696 0 C-N-CA 120.855 -0.688 . . . . 0.0 114.194 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -75.72 151.95 37.56 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 117.759 0.779 . . . . 0.0 111.867 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.1 t -90.66 115.08 29.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.996 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.458 HG11 HG21 ' A' ' 65' ' ' VAL . 17.9 t -124.05 124.9 69.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-O 120.891 0.377 . . . . 0.0 111.824 -178.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -94.61 127.62 40.69 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.265 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.9 t -89.1 121.42 39.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.161 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -100.57 -34.44 9.9 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.764 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.7 p -145.49 145.24 30.99 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -117.78 117.97 30.78 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.398 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.2 mt -79.35 141.54 36.85 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.047 0.217 . . . . 0.0 111.433 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 58' ' ' ARG . 9.1 mtpm? -133.88 175.68 9.25 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.47 -98.5 2.45 Favored Glycine 0 C--N 1.335 0.528 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.964 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 73.0 mmt-85 -79.35 -21.17 46.17 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 122.236 0.215 . . . . 0.0 111.456 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -144.43 67.66 0.43 Allowed Glycine 0 C--N 1.334 0.459 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.234 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.409 ' HA ' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -72.41 -7.65 50.89 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.809 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.2 mp -96.32 -7.64 34.77 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.812 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -102.07 133.52 46.77 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.401 0.619 . . . . 0.0 111.88 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 31.7 m0 -118.8 -175.91 2.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.731 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -160.58 159.87 31.31 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 121.188 -0.529 . . . . 0.0 112.305 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.38 -153.04 23.35 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 121.283 -0.484 . . . . 0.0 112.397 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.6 t -127.06 159.88 32.84 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 122.258 0.223 . . . . 0.0 110.586 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.481 HG23 HD12 ' A' ' 39' ' ' LEU . 43.9 t -111.89 122.47 66.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.264 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 . . . . . 0 C--O 1.235 0.313 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.416 179.116 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.442 0 CA-C-O 120.81 0.338 . . . . 0.0 111.668 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -165.67 -17.26 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.553 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -110.45 -8.12 14.7 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.5 mt 60.1 176.47 0.09 Allowed 'General case' 0 N--CA 1.478 0.953 0 O-C-N 124.058 0.849 . . . . 0.0 112.713 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -169.51 -174.94 38.31 Favored Glycine 0 C--N 1.336 0.551 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.897 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -126.74 151.94 47.52 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.945 0.372 . . . . 0.0 111.196 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -154.97 150.84 21.89 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.918 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.427 ' O ' HG12 ' A' ' 84' ' ' ILE . 9.2 Cg_exo -72.73 142.4 35.65 Favored 'Trans proline' 0 C--N 1.367 1.51 0 C-N-CA 122.505 2.136 . . . . 0.0 111.983 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 97.2 p -64.33 -26.36 68.44 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.646 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.3 p -66.15 -16.18 63.75 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.484 HG13 HG11 ' A' ' 85' ' ' VAL . 22.6 pt -96.69 -4.77 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.484 HG11 HG13 ' A' ' 84' ' ' ILE . 34.0 m -127.16 163.92 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-O 121.05 0.452 . . . . 0.0 112.055 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.5 ttt180 -135.83 116.06 13.48 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.891 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -89.25 123.92 33.91 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.038 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -126.47 -25.96 3.37 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.613 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -121.83 127.01 50.08 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.409 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.7 m -108.8 118.93 38.06 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.2 mt -85.49 -23.74 27.65 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -177.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.507 ' HE2' ' HB2' ' A' ' 14' ' ' ALA . 11.5 mtpt -166.08 142.31 4.17 Favored Pre-proline 0 N--CA 1.476 0.834 0 O-C-N 123.737 0.648 . . . . 0.0 111.411 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -61.5 130.61 32.41 Favored 'Trans proline' 0 C--N 1.37 1.708 0 C-N-CA 122.97 2.447 . . . . 0.0 113.548 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -98.6 77.82 0.56 Allowed Glycine 0 C--N 1.333 0.39 0 N-CA-C 110.466 -1.054 . . . . 0.0 110.466 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.7 pttt -122.41 33.47 5.44 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -177.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 53.1 t -121.73 110.53 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -81.86 115.12 20.91 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.325 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 25.1 t -123.35 122.97 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.032 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.53 166.87 20.76 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.081 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.7 p -97.52 162.94 13.07 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -121.72 -167.77 1.58 Allowed 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.841 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -42.6 88.12 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.444 0.698 . . . . 0.0 112.698 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -72.01 -16.12 62.06 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -79.15 147.98 32.5 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 60.07 41.39 17.28 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.705 0.628 . . . . 0.0 110.566 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 16.8 t80 . . . . . 0 N--CA 1.467 0.394 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.093 -179.416 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.293 0 CA-C-O 119.629 -0.539 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -82.1 101.97 1.18 Allowed 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 122.412 2.075 . . . . 0.0 112.248 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -113.03 159.92 32.88 Favored Pre-proline 0 CA--C 1.541 0.627 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.232 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -49.26 151.19 6.73 Favored 'Trans proline' 0 C--N 1.375 1.956 0 C-N-CA 123.218 2.612 . . . . 0.0 113.913 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -69.76 169.65 12.53 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.776 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.3 tp -118.76 -32.14 4.61 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.475 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -150.36 170.54 18.8 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.42 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -109.31 -41.56 4.61 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.94 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -134.78 162.13 33.24 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.638 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 pttt -137.97 170.09 16.64 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.19 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.479 ' HG ' ' HZ3' ' A' ' 54' ' ' LYS . 91.0 mt -118.31 111.97 19.44 Favored 'General case' 0 CA--C 1.523 -0.086 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.388 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 64.7 m -108.8 178.14 4.56 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.809 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.48 ' HB1' ' HG2' ' A' ' 92' ' ' LYS . . . -88.68 -22.27 23.49 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.18 178.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -146.86 172.44 13.66 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.679 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -65.84 -26.33 67.61 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.972 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.11 -11.77 43.01 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 80.9 m 56.39 28.94 14.31 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.345 0.593 . . . . 0.0 110.119 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.4 t -97.43 0.57 47.94 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.683 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -105.54 146.86 33.63 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.711 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.427 ' HB2' HD13 ' A' ' 91' ' ' LEU . 36.0 Cg_endo -90.26 114.08 0.5 Allowed 'Trans proline' 0 C--N 1.365 1.435 0 C-N-CA 122.788 2.325 . . . . 0.0 111.613 178.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.8 mt -62.07 -59.53 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.4 t -136.76 171.35 14.62 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.239 0.542 . . . . 0.0 111.691 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 19.9 ttp -118.48 100.86 7.73 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.09 143.57 29.21 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.8 t -98.67 139.32 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.316 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.04 132.57 35.12 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.172 0.295 . . . . 0.0 111.261 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -97.25 -19.55 18.5 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -148.91 -177.3 5.73 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -90.49 148.28 22.84 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.889 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -151.41 134.95 16.22 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.791 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.1 tpp -110.79 135.16 51.77 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.51 114.99 47.96 Favored Pre-proline 0 CA--C 1.537 0.459 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -77.43 -58.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.365 1.438 0 C-N-CA 122.473 2.116 . . . . 0.0 112.366 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -91.54 169.09 11.04 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.127 0.489 . . . . 0.0 112.015 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.1 t -63.25 -24.82 68.04 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -96.86 14.63 24.63 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -109.65 162.34 14.52 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.243 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.0 mt -113.92 145.33 41.66 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 37.0 m -97.47 112.12 24.1 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 177.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.495 HD11 HD13 ' A' ' 84' ' ' ILE . 55.0 mt -113.88 147.83 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.6 -177.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -112.29 154.92 24.92 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.944 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -64.44 117.28 7.08 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.502 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.32 -2.64 50.49 Favored Glycine 0 C--N 1.339 0.709 0 C-N-CA 120.921 -0.657 . . . . 0.0 114.243 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -80.23 155.46 27.34 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 117.543 0.672 . . . . 0.0 111.631 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.1 t -95.08 117.45 38.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.035 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.511 HG11 HG21 ' A' ' 65' ' ' VAL . 21.5 t -114.9 124.29 71.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.092 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -91.52 121.49 33.26 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.444 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.3 t -88.22 122.76 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.074 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -101.61 -26.06 13.66 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 77.3 p -153.06 160.41 42.94 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -126.64 112.92 16.04 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.5 mt -69.79 153.3 43.53 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -178.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.479 ' HZ3' ' HG ' ' A' ' 12' ' ' LEU . 36.5 mtmm -133.4 154.93 50.34 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.534 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.74 110.57 0.14 Allowed Glycine 0 C--N 1.338 0.644 0 C-N-CA 121.311 -0.471 . . . . 0.0 112.926 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.0 mtp-105 71.17 -64.66 0.37 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.728 1.211 . . . . 0.0 111.59 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -103.96 44.97 1.38 Allowed Glycine 0 N--CA 1.451 -0.314 0 N-CA-C 111.684 -0.566 . . . . 0.0 111.684 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.8 ptt-85 -69.41 -11.27 60.68 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.3 mt -91.49 11.35 24.33 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.667 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -115.65 129.2 56.41 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.094 0.473 . . . . 0.0 111.313 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 38.0 m0 -111.16 138.46 47.57 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.802 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -102.24 159.6 17.86 Favored Glycine 0 C--N 1.33 0.202 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.152 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 159.44 -157.11 28.26 Favored Glycine 0 C--N 1.334 0.447 0 C-N-CA 121.375 -0.441 . . . . 0.0 112.48 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.4 p -130.06 157.67 41.74 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 122.179 0.192 . . . . 0.0 110.565 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.511 HG21 HG11 ' A' ' 47' ' ' VAL . 38.6 t -110.01 122.31 64.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.96 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 . . . . . 0 C--O 1.233 0.236 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.432 179.206 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.376 0 CA-C-O 121.041 0.448 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.89 -40.15 0.1 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.192 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.71 8.57 5.35 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.981 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 57.6 mt 61.73 169.33 0.11 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.826 0.85 . . . . 0.0 113.245 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -162.91 -175.39 33.89 Favored Glycine 0 C--N 1.336 0.555 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.747 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -123.67 154.2 39.71 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.974 0.387 . . . . 0.0 111.299 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -154.47 150.38 21.88 Favored Pre-proline 0 CA--C 1.542 0.647 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.904 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.83 132.47 17.13 Favored 'Trans proline' 0 C--N 1.365 1.4 0 C-N-CA 122.217 1.944 . . . . 0.0 111.494 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 90.0 p -64.97 -18.7 65.5 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.596 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.6 p -65.94 -23.1 66.54 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.495 HD13 HD11 ' A' ' 41' ' ' ILE . 32.8 pt -95.94 -2.44 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 26.7 m -125.24 164.66 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 120.628 0.251 . . . . 0.0 111.586 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 64.1 ttt-85 -136.05 113.08 10.39 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.226 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -73.02 137.31 45.3 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.179 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -147.95 -41.92 0.17 Allowed 'General case' 0 C--O 1.234 0.25 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 -115.76 107.8 15.52 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.4 m -81.82 113.69 19.94 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.721 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.427 HD13 ' HB2' ' A' ' 21' ' ' PRO . 12.6 mt -86.1 -12.97 48.65 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.593 -178.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.48 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -171.28 130.9 0.77 Allowed Pre-proline 0 CA--C 1.543 0.683 0 O-C-N 123.745 0.653 . . . . 0.0 110.459 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -53.76 130.39 38.78 Favored 'Trans proline' 0 C--N 1.369 1.65 0 C-N-CA 122.549 2.166 . . . . 0.0 113.09 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -108.65 94.31 0.84 Allowed Glycine 0 C--N 1.335 0.523 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.8 ptpp? -142.97 33.3 1.37 Allowed 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.3 t -116.64 132.32 66.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.912 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -98.91 117.83 34.29 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.87 0.367 . . . . 0.0 111.537 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 39.0 t -126.66 128.39 71.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.063 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -78.11 161.42 27.41 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.615 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.8 p -81.07 172.01 14.24 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.639 0.256 . . . . 0.0 111.207 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.59 -177.8 3.24 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.517 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -74.6 -40.37 61.61 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.409 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 62.5 m95 -76.71 -2.83 34.92 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.467 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -79.45 149.91 31.42 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 58.82 25.8 13.99 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.615 0.766 . . . . 0.0 111.102 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 15.8 t80 . . . . . 0 N--CA 1.465 0.325 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.423 -179.66 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.625 0 CA-C-O 119.691 -0.505 . . . . 0.0 112.703 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -80.85 105.61 1.7 Allowed 'Trans proline' 0 C--N 1.363 1.306 0 C-N-CA 122.544 2.163 . . . . 0.0 111.933 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 42.8 mtm -117.11 166.07 13.93 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.463 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.72 154.0 22.29 Favored 'Trans proline' 0 C--N 1.378 2.109 0 C-N-CA 122.464 2.109 . . . . 0.0 112.554 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -74.28 171.93 12.75 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.476 0.655 . . . . 0.0 112.117 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.455 ' HB3' ' HZ ' ' A' ' 105' ' ' PHE . 4.8 tp -127.79 -31.89 2.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.22 -178.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.23 -176.38 4.59 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.621 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -124.74 -42.38 2.07 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 65.3 mtt85 -134.87 157.51 46.63 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.655 0.264 . . . . 0.0 111.193 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -138.02 165.37 26.74 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.641 -179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.455 ' HG ' ' HZ2' ' A' ' 54' ' ' LYS . 87.5 mt -111.77 110.13 20.33 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.759 178.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 62.0 m -106.49 175.89 5.35 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 123.567 0.542 . . . . 0.0 111.045 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.435 ' HB1' ' HG2' ' A' ' 92' ' ' LYS . . . -89.8 -26.42 20.58 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.414 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -136.55 169.99 16.79 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.19 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -67.91 -22.14 65.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.178 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -89.36 -13.96 36.69 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.503 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.1 m 58.72 26.06 14.15 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.617 0.722 . . . . 0.0 109.964 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.3 t -101.39 0.09 36.37 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 114.792 -1.094 . . . . 0.0 111.035 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -101.79 145.94 31.37 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.629 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -91.01 117.38 0.53 Allowed 'Trans proline' 0 C--N 1.366 1.476 0 C-N-CA 122.871 2.38 . . . . 0.0 111.717 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.4 mt -63.84 -64.73 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.245 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.0 m -139.46 142.48 37.37 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.041 0.448 . . . . 0.0 111.809 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -89.88 113.59 25.22 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.275 -0.875 . . . . 0.0 108.891 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.4 ' HB2' ' HB ' ' A' ' 85' ' ' VAL . . . -112.34 146.23 38.65 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.118 -178.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.7 t -97.47 142.37 14.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.38 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.6 133.81 34.41 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.323 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -97.45 -16.88 19.96 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -148.94 178.21 8.89 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -86.83 149.82 24.56 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.174 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -151.37 124.58 8.77 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.536 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.415 ' HA ' HG21 ' A' ' 40' ' ' THR . 26.4 mmt -106.53 130.43 54.31 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.504 ' H ' ' HG1' ' A' ' 40' ' ' THR . . . -112.78 130.33 23.58 Favored Pre-proline 0 C--O 1.234 0.289 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -84.58 -61.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.362 1.285 0 C-N-CA 122.989 2.46 . . . . 0.0 112.618 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -92.12 170.97 9.41 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 33.6 t -66.24 -15.14 62.95 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.972 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -69.84 -21.07 63.4 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.658 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -121.9 156.86 32.45 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.591 -0.444 . . . . 0.0 111.479 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.9 mt -108.91 141.43 40.98 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.617 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.504 ' HG1' ' H ' ' A' ' 33' ' ' ALA . 31.9 m -89.18 108.96 19.9 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.1 mt -114.45 147.91 17.6 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.151 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -111.18 156.44 21.42 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.154 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -65.67 115.23 5.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.625 -178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.34 -0.57 53.81 Favored Glycine 0 C--N 1.339 0.722 0 C-N-CA 121.009 -0.615 . . . . 0.0 113.994 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -80.78 164.31 22.82 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 117.587 0.694 . . . . 0.0 111.788 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.3 t -98.07 116.18 40.09 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.117 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.533 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.7 t -112.42 128.15 69.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.632 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -97.63 120.41 37.96 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.762 -0.199 . . . . 0.0 110.514 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.0 t -86.18 120.91 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -99.94 -32.33 11.03 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 77.6 p -149.96 160.52 43.54 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -125.81 108.87 11.89 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.496 -0.775 . . . . 0.0 108.91 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 58' ' ' ARG . 52.3 mt -67.62 155.74 38.46 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -178.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.455 ' HZ2' ' HG ' ' A' ' 12' ' ' LEU . 36.6 mtmm -132.81 -172.87 3.03 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.576 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.12 -104.21 2.94 Favored Glycine 0 C--N 1.339 0.749 0 C-N-CA 121.32 -0.467 . . . . 0.0 112.476 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.8 ptt-85 -103.04 -3.56 25.8 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.583 0.23 . . . . 0.0 110.802 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -133.6 53.65 0.79 Allowed Glycine 0 C--N 1.337 0.611 0 C-N-CA 121.186 -0.531 . . . . 0.0 112.512 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.433 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -72.49 -13.42 61.42 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 179.69 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -95.23 5.2 52.41 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.715 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -107.48 120.35 41.93 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.048 0.451 . . . . 0.0 110.967 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 36.8 m0 -110.99 127.91 55.68 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.99 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.93 160.84 24.33 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.696 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 162.26 -153.52 24.2 Favored Glycine 0 C--N 1.334 0.423 0 N-CA-C 112.237 -0.345 . . . . 0.0 112.237 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.4 m -149.49 130.87 14.7 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.3 p -90.64 136.02 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.704 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.417 HE21 ' HB3' ' A' ' 66' ' ' GLN . 3.3 mt-30 . . . . . 0 CA--C 1.532 0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.339 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.717 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.87 -38.62 86.65 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.698 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 -78.57 90.45 4.53 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.555 0.693 . . . . 0.0 109.986 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.98 125.86 27.65 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.239 -178.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -119.44 167.0 13.28 Favored Glycine 0 C--N 1.337 0.588 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.81 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -115.41 156.16 26.08 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.954 0.377 . . . . 0.0 111.065 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -152.14 153.58 31.32 Favored Pre-proline 0 CA--C 1.541 0.624 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.821 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -72.08 132.61 19.95 Favored 'Trans proline' 0 C--N 1.367 1.541 0 C-N-CA 122.369 2.046 . . . . 0.0 112.192 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 99.6 p -65.53 -22.07 66.68 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.333 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.8 t -66.25 -21.18 66.28 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.0 pt -99.35 0.64 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.4 ' HB ' ' HB2' ' A' ' 25' ' ' ALA . 29.1 m -119.6 156.1 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 120.801 0.334 . . . . 0.0 111.519 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -134.79 108.7 8.1 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.366 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -70.83 119.2 14.61 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.786 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -107.28 -39.5 5.67 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.328 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -137.87 144.06 41.2 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.722 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.4 m -102.92 120.68 41.05 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.0 mt -86.52 -27.1 24.21 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.753 -178.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.435 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -159.57 133.39 5.04 Favored Pre-proline 0 CA--C 1.543 0.703 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.585 -179.566 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -55.31 127.53 26.64 Favored 'Trans proline' 0 C--N 1.369 1.644 0 C-N-CA 123.164 2.576 . . . . 0.0 113.643 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.42 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -103.31 81.07 0.35 Allowed Glycine 0 C--N 1.335 0.473 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.586 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -128.71 30.67 5.08 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.2 t -115.01 135.63 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.012 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -106.89 111.74 24.38 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.889 0.376 . . . . 0.0 111.093 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 33.7 t -125.49 129.76 72.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.16 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -78.9 162.94 25.68 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.59 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 75.3 p -87.52 143.7 27.08 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.072 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -101.57 -122.03 0.17 Allowed 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.08 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.01 -15.86 8.17 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 118.455 0.57 . . . . 0.0 111.459 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -85.27 -2.61 58.25 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.16 0.288 . . . . 0.0 111.592 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.82 -36.45 56.87 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.709 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.455 ' HZ ' ' HB3' ' A' ' 7' ' ' LEU . 65.6 m-85 -121.97 52.53 1.27 Allowed 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.659 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.9 t80 . . . . . 0 C--O 1.235 0.29 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.272 -179.628 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.558 0 CA-C-O 119.452 -0.638 . . . . 0.0 112.241 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -80.0 121.72 4.57 Favored 'Trans proline' 0 C--N 1.359 1.095 0 C-N-CA 122.416 2.077 . . . . 0.0 112.606 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.74 178.53 1.62 Allowed Pre-proline 0 CA--C 1.556 1.208 0 CA-C-O 118.052 -0.975 . . . . 0.0 108.876 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -47.12 146.57 6.23 Favored 'Trans proline' 0 C--N 1.383 2.376 0 C-N-CA 122.738 2.292 . . . . 0.0 114.144 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -90.29 -5.07 56.71 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.056 -0.974 . . . . 0.0 112.191 -179.267 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 73.09 -37.96 0.4 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.043 0.937 . . . . 0.0 112.641 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.89 -169.75 3.45 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.246 0.218 . . . . 0.0 111.244 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -124.11 -41.17 2.22 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.433 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.442 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 10.4 mpt_? -123.75 151.27 43.42 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.776 0.322 . . . . 0.0 111.047 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -127.9 173.05 10.32 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.77 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.6 mt -123.28 120.5 33.28 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.981 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 74.4 m -122.67 176.05 6.17 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.738 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.439 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -80.44 -41.66 24.08 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.965 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -124.63 172.48 9.22 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.57 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -68.49 -20.95 64.63 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.62 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -88.76 -17.51 29.68 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.678 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.8 t 56.9 29.89 17.01 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.781 0.8 . . . . 0.0 109.851 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.3 t -94.19 -6.76 44.02 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 114.625 -1.171 . . . . 0.0 110.899 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -100.01 147.51 33.57 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.6 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -91.43 123.32 0.77 Allowed 'Trans proline' 0 C--N 1.367 1.504 0 C-N-CA 122.883 2.389 . . . . 0.0 111.955 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.2 mt -68.21 -64.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.245 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.6 t -138.2 137.37 37.51 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.124 0.488 . . . . 0.0 112.223 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.4 tmm? -89.56 117.95 28.84 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.22 150.65 39.07 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -177.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.9 t -103.66 133.02 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.312 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.8 134.34 47.3 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 74.9 mt -101.05 -15.7 17.35 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.463 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -152.24 -177.23 6.06 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -92.4 151.82 20.05 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.491 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -151.68 135.35 16.28 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.499 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 92.0 mtp -107.17 132.88 52.54 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.442 0.464 . . . . 0.0 110.425 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.44 116.29 66.24 Favored Pre-proline 0 CA--C 1.537 0.456 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.43 -60.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.365 1.408 0 C-N-CA 122.793 2.329 . . . . 0.0 111.829 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -90.71 165.38 13.72 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.182 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 39.5 m -62.89 -26.72 68.92 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.614 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -67.41 -22.53 65.53 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -99.5 160.22 14.45 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.9 mt -114.59 141.66 47.46 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.949 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 93.8 m -89.92 116.16 27.77 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.5 mt -121.61 137.63 54.61 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.208 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -100.99 156.18 17.55 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.499 178.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -62.93 113.38 3.04 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.441 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.12 3.77 41.67 Favored Glycine 0 C--N 1.34 0.752 0 C-N-CA 121.026 -0.607 . . . . 0.0 114.413 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -81.97 146.2 29.87 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 117.928 0.864 . . . . 0.0 111.723 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.3 t -83.99 115.89 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.593 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.5 t -124.78 126.27 71.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-O 120.67 0.271 . . . . 0.0 110.848 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -92.88 137.08 32.68 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.745 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 37.3 t -97.66 132.35 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.261 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -116.76 -37.28 3.68 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.719 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.1 p -136.07 148.34 48.26 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -125.71 112.83 16.55 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.185 178.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.3 mt -69.97 145.4 51.88 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -115.91 -176.62 2.98 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.91 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.84 -126.71 7.92 Favored Glycine 0 C--N 1.339 0.718 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.695 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.5 ptt-85 -78.22 -12.68 60.01 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.585 0.231 . . . . 0.0 111.365 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -119.55 53.99 0.66 Allowed Glycine 0 C--N 1.336 0.542 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.16 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -15.67 62.56 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 122.271 0.228 . . . . 0.0 111.553 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -100.06 7.71 44.49 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.936 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -107.22 119.84 40.48 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.504 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 32.9 m0 -111.72 -171.87 1.93 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.856 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.435 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -166.42 157.63 30.2 Favored Glycine 0 C--N 1.336 0.582 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.38 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 171.61 -148.58 11.12 Favored Glycine 0 C--N 1.333 0.383 0 N-CA-C 112.09 -0.404 . . . . 0.0 112.09 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.3 p -133.45 138.63 46.28 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.6 p -90.6 126.43 43.38 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 121.235 0.541 . . . . 0.0 111.739 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 . . . . . 0 CA--C 1.537 0.457 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.038 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.522 0.201 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.93 -19.57 17.98 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.651 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.45 0.77 21.19 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.836 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.4 mt 57.79 -179.9 0.06 Allowed 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.44 -176.48 38.24 Favored Glycine 0 C--N 1.337 0.586 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.364 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.435 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 99.0 m-85 -134.89 147.64 49.89 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 117.097 0.448 . . . . 0.0 111.029 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -152.71 158.13 33.22 Favored Pre-proline 0 CA--C 1.546 0.818 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.372 -178.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -76.97 135.82 15.93 Favored 'Trans proline' 0 C--N 1.368 1.6 0 C-N-CA 122.454 2.103 . . . . 0.0 111.962 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 97.0 p -65.91 -19.76 65.98 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.6 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.4 p -66.86 -16.84 64.57 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.9 pt -102.45 2.21 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.7 m -119.15 155.24 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -120.87 112.49 18.86 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.025 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -85.85 140.41 30.44 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.762 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -153.64 -30.69 0.12 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.759 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 45.6 tp60 -122.88 119.67 31.21 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.4 m -102.38 115.88 31.47 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.7 mt -86.04 -19.2 30.64 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -177.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.437 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -168.08 131.81 1.39 Allowed Pre-proline 0 N--CA 1.473 0.703 0 O-C-N 123.357 0.41 . . . . 0.0 110.993 -179.377 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -57.21 129.06 32.24 Favored 'Trans proline' 0 C--N 1.371 1.723 0 C-N-CA 123.029 2.486 . . . . 0.0 113.574 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -105.7 82.45 0.33 Allowed Glycine 0 C--N 1.333 0.39 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 179.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.2 ptpp? -125.12 29.49 6.09 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 53.4 t -115.93 133.95 60.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -103.11 117.05 33.68 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.906 0.384 . . . . 0.0 111.258 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.8 t -123.44 133.02 70.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.865 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.442 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 24.3 pttm -80.07 163.74 23.93 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.433 0.159 . . . . 0.0 110.821 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.0 p -94.72 157.84 15.78 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.423 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -111.14 -172.1 1.96 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.547 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.27 -17.73 51.34 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.766 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -76.33 -22.53 54.83 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.764 0.316 . . . . 0.0 110.385 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.21 139.82 38.94 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.854 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 58.23 46.05 16.34 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 123.951 0.782 . . . . 0.0 111.127 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 10.5 t80 . . . . . 0 C--O 1.235 0.306 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.113 179.912 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.358 0 N-CA-C 111.685 -0.566 . . . . 0.0 111.685 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -84.38 125.65 3.48 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 122.267 1.978 . . . . 0.0 113.229 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.469 ' HG3' HH21 ' A' ' 37' ' ' ARG . 4.6 ppp? -128.44 155.68 78.24 Favored Pre-proline 0 CA--C 1.542 0.639 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.172 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -50.16 131.07 30.07 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.864 2.376 . . . . 0.0 113.52 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -56.75 134.49 54.97 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.615 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.4 tp -78.93 -34.83 44.19 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.17 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.62 169.83 18.18 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.834 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -110.03 -53.66 2.65 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.16 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -117.16 148.61 41.44 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.931 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.1 pttt -127.73 176.55 7.45 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.042 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.3 mt -120.61 119.76 33.81 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.517 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 57.2 m -125.86 175.91 7.33 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.671 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.16 -39.2 34.06 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.087 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -128.79 172.45 11.27 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -67.53 -19.66 65.33 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.034 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -88.72 -19.41 26.14 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.786 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.6 t 56.08 30.91 17.16 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.828 0.823 . . . . 0.0 109.956 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.5 t -100.73 17.07 22.92 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.468 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -121.36 148.5 49.93 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.789 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.423 ' HB2' HD12 ' A' ' 91' ' ' LEU . 31.0 Cg_endo -90.01 119.99 0.84 Allowed 'Trans proline' 0 C--N 1.365 1.412 0 C-N-CA 122.696 2.264 . . . . 0.0 111.912 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.1 mt -62.83 -64.34 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.043 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.4 m -141.47 145.92 35.83 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.088 0.471 . . . . 0.0 112.021 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -89.53 114.62 26.18 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.244 -0.889 . . . . 0.0 108.82 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.52 143.39 45.66 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.957 0.408 . . . . 0.0 111.974 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.5 t -96.59 136.23 28.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.127 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.41 133.74 39.8 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.943 0.402 . . . . 0.0 111.628 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.3 mt -100.12 -16.62 17.77 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.163 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -153.24 -175.91 5.55 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.36 155.59 17.15 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.947 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -151.32 146.64 26.15 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.815 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -115.47 137.45 52.04 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.012 0.195 . . . . 0.0 110.629 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.14 111.3 46.03 Favored Pre-proline 0 CA--C 1.538 0.512 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -75.21 -59.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.365 1.42 0 C-N-CA 122.666 2.244 . . . . 0.0 112.785 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -91.04 170.96 9.6 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.214 0.531 . . . . 0.0 112.377 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.4 p -62.74 -24.4 67.68 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.576 ' HB3' HH11 ' A' ' 37' ' ' ARG . 0.0 OUTLIER -99.54 16.44 23.31 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -178.202 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.417 ' HA ' ' H ' ' A' ' 79' ' ' TYR . 1.8 m-85 -109.51 163.58 13.3 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.472 ' HB2' ' HA3' ' A' ' 78' ' ' GLY . 54.2 tp -124.35 136.58 54.2 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -177.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.8 m -89.74 128.85 36.18 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.386 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.496 HD11 HD13 ' A' ' 84' ' ' ILE . 54.5 mt -128.29 149.06 32.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.79 -178.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -116.18 151.02 36.51 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -60.77 115.17 3.46 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.29 0.368 . . . . 0.0 111.698 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.14 6.72 44.9 Favored Glycine 0 C--N 1.339 0.728 0 CA-C-N 115.859 -0.609 . . . . 0.0 114.295 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -87.61 149.0 24.58 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 117.796 0.798 . . . . 0.0 112.21 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.1 t -80.63 117.0 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.072 0 CA-C-N 115.03 -0.986 . . . . 0.0 108.914 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.552 HG22 HG21 ' A' ' 65' ' ' VAL . 12.9 t -122.63 117.07 50.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.558 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -87.78 122.71 31.77 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.199 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.6 t -86.65 131.73 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -112.75 -33.16 6.19 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.0 p -146.93 148.37 31.7 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.8 mttm -120.57 114.03 21.13 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.6 mt -65.22 150.04 48.9 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -177.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -118.09 -41.2 2.9 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.017 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -66.97 100.83 0.59 Allowed Glycine 0 C--N 1.341 0.836 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.534 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.2 ptt85 43.88 25.02 0.08 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.995 1.318 . . . . 0.0 113.35 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -110.61 -58.69 0.49 Allowed Glycine 0 C--N 1.336 0.566 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 52.05 -74.89 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.145 1.378 . . . . 0.0 113.454 178.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 74.1 mt -75.94 -10.13 59.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.641 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -88.86 118.82 28.84 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.174 0.511 . . . . 0.0 110.783 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 52.6 m0 -110.45 -175.59 2.76 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.422 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -162.5 142.25 7.8 Favored Glycine 0 C--N 1.337 0.616 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.713 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.4 -147.08 6.52 Favored Glycine 0 C--N 1.337 0.635 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.777 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.6 p -136.08 169.58 17.38 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.584 0.226 . . . . 0.0 110.763 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.552 HG21 HG22 ' A' ' 47' ' ' VAL . 73.2 t -116.29 126.73 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.536 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 . . . . . 0 CA--C 1.537 0.473 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.093 178.398 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.27 0 CA-C-O 120.677 0.275 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.56 -176.59 4.35 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.421 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 37.34 82.58 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.161 0.984 . . . . 0.0 112.816 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.6 mt -59.1 123.94 18.28 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.768 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.472 ' HA3' ' HB2' ' A' ' 39' ' ' LEU . . . -117.69 167.62 12.82 Favored Glycine 0 C--N 1.333 0.4 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.669 -179.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.417 ' H ' ' HA ' ' A' ' 38' ' ' PHE . 17.7 m-85 -104.68 150.46 24.7 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.834 0.35 . . . . 0.0 110.98 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -152.37 151.15 26.79 Favored Pre-proline 0 CA--C 1.542 0.636 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.652 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.46 ' O ' HG12 ' A' ' 84' ' ' ILE . 11.2 Cg_exo -71.86 142.23 38.71 Favored 'Trans proline' 0 C--N 1.366 1.464 0 C-N-CA 122.264 1.976 . . . . 0.0 111.784 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 94.6 p -66.3 -22.09 66.28 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.212 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.5 p -67.58 -19.3 65.24 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.496 HD13 HD11 ' A' ' 41' ' ' ILE . 21.6 pt -92.58 -3.68 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 C-N-CA 120.42 -0.512 . . . . 0.0 112.214 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.9 m -126.46 168.19 19.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 120.964 0.411 . . . . 0.0 111.858 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -139.52 117.45 11.72 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.129 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -76.39 129.72 37.0 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.905 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -122.06 -35.04 3.23 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.465 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -143.89 140.78 29.94 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.103 0.252 . . . . 0.0 111.591 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 55.8 m -101.91 125.63 48.63 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.898 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.423 HD12 ' HB2' ' A' ' 21' ' ' PRO . 20.2 mt -87.19 -24.86 24.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.168 -179.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -166.5 136.85 2.63 Favored Pre-proline 0 N--CA 1.469 0.497 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.482 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -62.79 123.72 12.81 Favored 'Trans proline' 0 C--N 1.366 1.493 0 C-N-CA 122.837 2.358 . . . . 0.0 113.252 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -100.42 89.92 0.87 Allowed Glycine 0 C--N 1.335 0.526 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.89 33.52 2.65 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 49.0 t -120.34 114.8 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.957 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -78.8 115.32 18.41 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.335 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 24.7 t -125.01 126.36 71.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.095 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -76.43 160.52 29.46 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.824 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 62.5 p -101.55 163.62 12.17 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.142 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -109.25 -177.53 3.32 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.527 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -77.69 -22.87 49.83 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.521 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 76.2 m95 -76.99 -14.28 59.86 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.439 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -80.93 -26.64 36.55 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -119.0 43.69 2.51 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.178 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 9.7 t80 . . . . . 0 N--CA 1.466 0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.461 179.833 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.605 0 CA-C-O 119.757 -0.468 . . . . 0.0 112.946 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -78.89 110.52 2.8 Favored 'Trans proline' 0 C--N 1.363 1.326 0 C-N-CA 122.502 2.135 . . . . 0.0 111.867 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.7 ptm -142.74 149.52 50.4 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.327 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -89.12 167.31 5.51 Favored 'Trans proline' 0 C--N 1.362 1.24 0 C-N-CA 122.969 2.446 . . . . 0.0 113.461 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.592 ' HG2' ' HD2' ' A' ' 37' ' ' ARG . 3.9 mtpt -90.43 -160.65 0.72 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.644 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.535 HD23 ' H ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -92.29 -22.58 19.66 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.479 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.32 -162.92 0.85 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.204 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -139.86 -20.76 0.89 Allowed 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.454 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 0.7 OUTLIER -128.95 149.24 50.89 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 120.722 0.296 . . . . 0.0 111.139 178.823 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 98' ' ' VAL . 20.7 pttp -127.82 173.29 10.09 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.583 -179.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.3 mt -126.97 119.99 28.01 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.075 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.408 ' HA ' HD13 ' A' ' 22' ' ' ILE . 81.1 m -122.44 174.56 6.96 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.707 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.433 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -78.19 -31.16 49.38 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.214 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -145.02 173.85 11.54 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.971 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -64.41 -20.08 65.92 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.893 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -88.44 -22.25 23.8 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.766 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.4 t 57.6 28.58 15.87 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.833 0.825 . . . . 0.0 109.557 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.2 t -93.21 -9.62 38.6 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.969 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -96.18 147.25 32.68 Favored Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.45 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -89.77 120.39 0.92 Allowed 'Trans proline' 0 C--N 1.366 1.495 0 C-N-CA 122.787 2.325 . . . . 0.0 111.516 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' A' ' 13' ' ' CYS . 57.2 mt -66.17 -65.4 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.138 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.513 -179.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.8 m -138.98 141.37 38.38 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.154 0.502 . . . . 0.0 112.024 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.8 tmm? -90.12 114.64 26.61 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.642 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.61 145.45 42.69 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.2 t -95.37 141.53 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.603 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.72 135.57 34.08 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.27 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -100.35 -18.19 16.9 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -150.71 179.72 7.96 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -87.58 154.17 20.82 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.375 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -151.09 129.09 11.75 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.411 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 65.5 mtt -106.14 127.79 53.45 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 123.408 0.442 . . . . 0.0 110.508 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.97 120.27 61.85 Favored Pre-proline 0 CA--C 1.535 0.376 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -79.72 -64.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.363 1.331 0 C-N-CA 122.577 2.185 . . . . 0.0 111.729 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -91.93 169.9 10.29 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.445 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.8 t -64.73 -13.87 56.41 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.592 ' HD2' ' HG2' ' A' ' 6' ' ' LYS . 54.0 ttp85 -76.72 -30.04 56.48 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 117.894 0.315 . . . . 0.0 111.054 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -94.05 159.5 15.13 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.002 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.2 tp -119.14 139.11 52.35 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.93 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.9 m -88.48 121.18 30.58 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.464 HD11 HD13 ' A' ' 84' ' ' ILE . 64.3 mt -127.76 141.1 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.3 -178.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -103.34 154.68 19.12 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.405 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -64.29 122.57 16.97 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.797 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.74 -4.67 63.71 Favored Glycine 0 C--N 1.337 0.584 0 C-N-CA 121.089 -0.577 . . . . 0.0 114.073 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -80.94 152.63 27.95 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 117.468 0.634 . . . . 0.0 111.888 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.6 t -89.52 126.59 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-N 115.234 -0.893 . . . . 0.0 109.742 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.0 t -127.35 129.21 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.677 0.275 . . . . 0.0 110.969 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -95.37 126.47 40.7 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.585 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.3 t -90.23 130.17 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.329 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -111.23 -36.25 5.65 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.766 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 62.0 p -136.13 146.35 46.85 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -130.72 111.45 12.18 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.405 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.587 HD11 ' HD3' ' A' ' 6' ' ' LYS . 58.4 mt -70.9 156.13 39.96 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.449 0.166 . . . . 0.0 111.21 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -137.18 170.29 16.35 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.054 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.42 -98.45 2.09 Favored Glycine 0 C--N 1.336 0.576 0 CA-C-N 115.955 -0.566 . . . . 0.0 113.213 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.3 mmm-85 -73.7 -34.61 64.91 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 122.307 0.243 . . . . 0.0 111.295 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.3 60.24 0.68 Allowed Glycine 0 C--N 1.334 0.45 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.238 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -11.08 60.74 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 66.2 mt -101.76 6.58 41.8 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.091 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -113.04 124.02 51.64 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.192 0.52 . . . . 0.0 111.531 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 45.3 m0 -111.57 -171.81 1.91 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.813 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.468 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -166.49 156.55 28.51 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.413 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 167.21 -153.37 22.87 Favored Glycine 0 C--N 1.338 0.644 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.46 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 86.3 p -126.62 142.4 51.55 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.497 0.189 . . . . 0.0 110.604 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 p -92.29 124.36 44.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 121.289 0.566 . . . . 0.0 111.6 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 . . . . . 0 C--O 1.233 0.202 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.142 179.463 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.334 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.15 -42.89 79.4 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.593 0.235 . . . . 0.0 110.663 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -82.91 118.67 23.62 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.392 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.4 tp -98.56 133.78 42.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.599 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -135.42 -168.94 11.72 Favored Glycine 0 C--N 1.338 0.686 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.793 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.468 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 65.1 m-85 -131.09 152.46 50.36 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.58 0.229 . . . . 0.0 110.808 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -150.64 151.42 30.56 Favored Pre-proline 0 CA--C 1.542 0.642 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.348 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -73.45 139.5 28.75 Favored 'Trans proline' 0 C--N 1.369 1.623 0 C-N-CA 122.467 2.111 . . . . 0.0 111.908 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 98.5 p -64.15 -20.07 65.73 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.893 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.3 t -65.42 -20.66 66.47 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.464 HD13 HD11 ' A' ' 41' ' ' ILE . 32.0 pt -96.78 -3.56 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.462 HG12 HG13 ' A' ' 84' ' ' ILE . 20.1 m -124.39 169.56 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 121.083 0.468 . . . . 0.0 111.928 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -142.96 115.24 8.44 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.018 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -62.77 134.38 56.18 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.936 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -117.82 -46.02 2.66 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.063 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -148.72 135.02 19.41 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.1 m -88.87 120.98 30.77 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.8 mt -86.07 -30.98 22.19 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.402 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -154.98 127.31 3.96 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.565 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -53.24 128.16 28.03 Favored 'Trans proline' 0 C--N 1.37 1.691 0 C-N-CA 122.806 2.337 . . . . 0.0 113.877 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.433 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -103.98 91.49 0.82 Allowed Glycine 0 C--N 1.335 0.488 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -132.85 28.67 4.19 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 41.3 t -117.03 133.68 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.29 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -101.29 120.03 39.64 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.904 0.383 . . . . 0.0 111.298 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.424 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 15.4 t -128.0 127.83 68.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.546 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.454 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -79.63 167.29 20.89 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.596 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.2 p -108.29 130.54 55.18 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.716 0.293 . . . . 0.0 111.218 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -102.29 -112.41 0.21 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.848 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.84 -3.26 4.66 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.415 0.552 . . . . 0.0 111.756 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -92.98 -9.66 39.11 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.675 0.274 . . . . 0.0 110.814 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -79.69 -28.2 40.67 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.281 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -143.48 83.88 1.79 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.326 0.584 . . . . 0.0 111.866 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.9 t80 . . . . . 0 CA--C 1.535 0.377 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.549 179.36 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.449 0 CA-C-O 119.712 -0.493 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -83.43 107.18 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 C-N-CA 122.574 2.182 . . . . 0.0 112.551 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.87 176.29 1.58 Allowed Pre-proline 0 CA--C 1.553 1.082 0 CA-C-O 118.249 -0.882 . . . . 0.0 108.856 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -49.25 147.46 11.65 Favored 'Trans proline' 0 C--N 1.382 2.308 0 C-N-CA 122.349 2.033 . . . . 0.0 113.342 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.476 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 4.6 mptt -63.75 -38.54 91.49 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.104 -179.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 6' ' ' LYS . 1.1 pp 56.39 5.31 0.18 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.879 1.272 . . . . 0.0 113.554 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -163.73 174.13 12.01 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 122.471 0.309 . . . . 0.0 110.964 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -139.44 -53.04 0.55 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.145 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.448 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 1.4 mpp_? -127.69 151.14 49.34 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.473 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.449 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 56.8 pttt -119.78 165.53 14.44 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.008 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.0 mt -114.47 113.48 24.53 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.556 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 59.0 m -118.03 174.45 6.2 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.786 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.44 -30.56 27.18 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.326 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -140.88 174.79 10.18 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.016 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -67.5 -19.24 65.29 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.979 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -88.59 -20.52 24.88 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.574 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.1 t 56.04 30.74 16.76 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.904 0.859 . . . . 0.0 109.918 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.0 t -96.11 -4.18 43.25 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.948 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -106.28 147.53 35.04 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.736 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -90.82 130.13 1.45 Allowed 'Trans proline' 0 C--N 1.365 1.428 0 C-N-CA 122.991 2.461 . . . . 0.0 111.858 179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.2 mp -73.29 -62.89 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.117 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.343 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.2 m -132.62 144.01 50.07 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 25.5 ttp -93.62 109.73 21.35 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 87' ' ' GLU . . . -108.67 144.4 36.48 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.4 t -98.61 137.53 25.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.739 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.3 127.71 33.06 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 123.236 0.335 . . . . 0.0 111.452 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.0 mt -93.84 -17.54 22.97 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.414 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -153.55 -175.54 5.41 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.58 153.74 17.68 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.634 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -151.35 146.85 26.28 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.111 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.4 mmt -117.79 142.61 47.1 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.39 106.63 14.36 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -78.98 -47.11 0.1 OUTLIER 'Trans proline' 0 C--N 1.367 1.506 0 C-N-CA 122.811 2.341 . . . . 0.0 112.166 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -89.16 161.86 16.25 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.568 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 36.7 t -63.72 -31.84 73.14 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.258 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.22 -0.09 56.71 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -89.3 169.16 11.66 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.622 0.249 . . . . 0.0 111.299 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.484 ' HB2' ' HA3' ' A' ' 78' ' ' GLY . 52.9 tp -128.71 137.6 51.69 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.82 -178.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 42.5 m -91.09 127.98 36.73 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.69 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.47 HD11 HD13 ' A' ' 84' ' ' ILE . 47.8 mt -126.97 150.54 32.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.86 -178.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -117.62 150.24 39.35 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -62.01 117.77 6.4 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.684 0.278 . . . . 0.0 111.52 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.58 -2.82 36.62 Favored Glycine 0 C--N 1.338 0.668 0 C-N-CA 120.927 -0.654 . . . . 0.0 114.1 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -83.08 144.53 29.83 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 117.663 0.732 . . . . 0.0 111.712 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.3 t -83.64 124.04 39.31 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.1 t -125.01 118.19 52.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 120.956 0.407 . . . . 0.0 111.345 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -86.03 123.49 31.4 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.936 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 36.9 t -87.49 122.16 38.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.395 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -103.52 -22.21 13.65 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.449 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 69.4 p -154.93 141.87 19.18 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -119.76 112.58 19.44 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.083 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.5 mt -68.3 151.84 46.32 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -120.07 179.78 4.17 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.826 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.47 -121.56 5.55 Favored Glycine 0 C--N 1.339 0.728 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.504 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -76.91 -19.02 57.91 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.696 0.284 . . . . 0.0 110.93 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -105.12 47.25 1.08 Allowed Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.947 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -66.27 -26.97 67.59 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 122.707 0.403 . . . . 0.0 111.166 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -103.6 18.79 21.1 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.063 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -115.05 117.88 31.82 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.127 0.489 . . . . 0.0 111.194 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 33.0 m0 -110.56 178.65 4.3 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.413 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -159.83 147.94 15.8 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.331 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 175.82 -153.98 16.22 Favored Glycine 0 C--N 1.335 0.505 0 C-N-CA 121.334 -0.46 . . . . 0.0 112.52 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.4 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 87.7 p -132.34 153.5 50.68 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.396 0.141 . . . . 0.0 110.668 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 91.7 t -94.76 122.39 46.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 111.59 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 . . . . . 0 C--O 1.237 0.44 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.07 177.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.4 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . . . . . . 0 C--O 1.237 0.405 0 CA-C-O 121.001 0.429 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.68 -30.94 0.11 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.487 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.94 -9.75 58.46 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.888 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.9 mt 63.9 139.91 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.244 1.017 . . . . 0.0 113.473 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.484 ' HA3' ' HB2' ' A' ' 39' ' ' LEU . . . -132.64 173.38 20.9 Favored Glycine 0 C--N 1.335 0.503 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.892 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -121.7 142.35 50.25 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.86 0.362 . . . . 0.0 110.997 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -146.85 154.93 47.95 Favored Pre-proline 0 CA--C 1.542 0.671 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.16 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -74.61 138.05 23.52 Favored 'Trans proline' 0 C--N 1.367 1.521 0 C-N-CA 122.23 1.953 . . . . 0.0 111.473 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 90.2 p -63.87 -18.15 63.88 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.859 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.4 t -65.35 -23.33 66.96 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.47 HD13 HD11 ' A' ' 41' ' ' ILE . 25.2 pt -92.39 -6.11 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 21.4 m -127.28 163.59 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -145.51 112.36 5.97 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.321 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 25' ' ' ALA . 1.0 OUTLIER -82.85 136.56 34.59 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.744 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -127.23 -21.08 3.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.432 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -133.81 116.25 15.47 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.705 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.4 m -84.31 126.66 33.4 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.223 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.6 mt -88.2 -41.01 13.25 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.075 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.41 ' HG3' ' HD2' ' A' ' 93' ' ' PRO . 1.7 tpmt? -150.76 132.79 8.0 Favored Pre-proline 0 CA--C 1.543 0.693 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.255 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.41 ' HD2' ' HG3' ' A' ' 92' ' ' LYS . 84.3 Cg_exo -48.73 126.72 15.11 Favored 'Trans proline' 0 C--N 1.374 1.888 0 C-N-CA 123.172 2.581 . . . . 0.0 113.927 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -105.43 78.14 0.26 Allowed Glycine 0 C--N 1.333 0.374 0 N-CA-C 111.251 -0.739 . . . . 0.0 111.251 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -121.31 22.88 10.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.4 t -113.7 136.66 49.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -112.93 120.22 40.65 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.799 0.333 . . . . 0.0 110.878 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.1 t -124.27 134.16 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.057 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.448 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 95.4 mttt -73.9 154.23 39.49 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.71 -0.223 . . . . 0.0 110.638 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 64.8 p -103.23 140.65 37.09 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 52.8 p30 -98.11 -170.38 1.96 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? -79.34 -8.6 59.2 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -95.24 23.84 5.48 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.789 0.328 . . . . 0.0 111.424 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -113.14 -21.62 10.93 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.354 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -148.61 58.92 1.07 Allowed 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.214 0.531 . . . . 0.0 111.932 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 20.0 t80 . . . . . 0 N--CA 1.465 0.316 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.574 179.37 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.419 0 CA-C-O 119.708 -0.496 . . . . 0.0 112.965 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -82.78 166.11 15.31 Favored 'Trans proline' 0 C--N 1.361 1.199 0 C-N-CA 122.727 2.285 . . . . 0.0 112.258 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.608 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 1.6 pmm? -153.63 173.11 4.94 Favored Pre-proline 0 CA--C 1.546 0.821 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.317 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.608 ' HD2' ' HB2' ' A' ' 4' ' ' MET . 41.6 Cg_endo -65.72 137.23 48.95 Favored 'Trans proline' 0 C--N 1.37 1.668 0 C-N-CA 122.188 1.925 . . . . 0.0 111.64 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -66.89 129.1 38.77 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.374 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.8 mt -78.42 -29.54 47.18 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.48 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -150.17 -175.43 5.06 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.994 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -121.4 -52.17 2.05 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.07 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -123.43 161.06 25.54 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.172 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -141.26 177.88 7.79 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.927 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -108.32 134.02 51.72 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.743 178.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 94.9 m -138.67 165.73 26.18 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 123.604 0.565 . . . . 0.0 110.438 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.425 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -79.79 -30.88 40.73 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.058 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -141.94 172.2 13.01 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.261 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -67.19 -15.37 63.66 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.392 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -89.21 -20.26 24.4 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.819 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.9 m 56.81 28.15 13.97 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 123.654 0.596 . . . . 0.0 110.199 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.1 t -96.48 -5.49 39.41 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.572 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -98.3 152.05 37.79 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.66 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -91.65 117.64 0.48 Allowed 'Trans proline' 0 C--N 1.368 1.576 0 C-N-CA 122.755 2.303 . . . . 0.0 112.067 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 36.9 mt -71.01 -62.55 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.1 p -135.65 137.15 41.57 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.8 tmm? -89.59 116.02 27.42 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.05 146.33 42.27 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.142 0.496 . . . . 0.0 112.328 -178.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.7 t -99.36 137.06 27.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.206 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.34 131.88 37.19 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.225 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.0 mt -98.76 -15.32 19.36 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.63 -0.713 . . . . 0.0 112.579 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -153.37 179.71 8.52 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -89.08 151.78 22.03 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.457 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -151.57 130.39 12.44 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.823 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -105.08 133.57 49.64 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.09 112.33 44.77 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -78.66 -52.4 0.06 OUTLIER 'Trans proline' 0 C--N 1.365 1.413 0 C-N-CA 122.473 2.115 . . . . 0.0 111.774 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -90.92 162.68 14.66 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.664 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.8 t -62.7 -31.93 72.93 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.323 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -77.49 -13.48 59.91 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -91.04 157.55 17.19 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.614 0.245 . . . . 0.0 111.369 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.4 mt -113.56 143.97 43.65 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.33 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 37.5 m -94.49 112.08 23.85 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.5 HD11 HD12 ' A' ' 84' ' ' ILE . 71.1 mt -113.8 146.68 18.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.938 -177.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -110.96 151.84 27.48 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.009 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -64.32 120.29 11.92 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.533 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.34 -7.69 51.59 Favored Glycine 0 C--N 1.338 0.664 0 C-N-CA 120.992 -0.623 . . . . 0.0 113.994 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -79.26 151.66 31.01 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 117.426 0.613 . . . . 0.0 111.76 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.6 t -91.01 109.79 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.07 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 65' ' ' VAL . 16.5 t -109.63 126.87 66.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 120.6 0.238 . . . . 0.0 110.583 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -93.96 128.79 40.48 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.066 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.3 t -89.01 127.94 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.729 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -107.82 -22.36 12.49 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.629 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.0 p -154.23 157.2 38.4 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -130.91 107.46 9.13 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.2 mt -67.36 157.48 33.93 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -123.4 -178.51 4.02 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.804 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.29 -138.26 18.2 Favored Glycine 0 C--N 1.34 0.772 0 CA-C-N 116.059 -0.519 . . . . 0.0 113.282 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 -69.49 -26.36 64.51 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 122.59 0.356 . . . . 0.0 111.591 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -110.68 39.57 2.85 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 121.25 -0.5 . . . . 0.0 112.113 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.1 ptt-85 -69.41 -16.55 63.52 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.9 mt -84.72 9.44 13.96 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.598 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -112.24 120.97 43.58 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.132 0.491 . . . . 0.0 111.063 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 22.4 m0 -108.02 119.89 40.75 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.878 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.56 161.48 42.64 Favored Glycine 0 C--N 1.333 0.414 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.098 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 148.67 -159.34 28.0 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.86 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.9 m -154.84 153.79 31.71 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.909 0.385 . . . . 0.0 111.171 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 47' ' ' VAL . 9.0 p -70.04 162.95 3.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.97 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 . . . . . 0 N--CA 1.477 0.901 0 C-N-CA 124.506 1.123 . . . . 0.0 113.187 -179.588 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.353 0 CA-C-O 121.129 0.49 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -146.46 -43.24 0.19 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.624 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -92.9 -18.26 23.01 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.952 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.8 tp 65.94 143.59 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 O-C-N 124.387 1.054 . . . . 0.0 111.468 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -149.49 -156.61 7.28 Favored Glycine 0 C--N 1.344 0.981 0 C-N-CA 120.174 -1.012 . . . . 0.0 113.797 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -136.35 155.89 49.41 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 122.625 0.37 . . . . 0.0 110.81 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -154.51 148.23 18.74 Favored Pre-proline 0 CA--C 1.541 0.605 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.913 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.401 ' O ' HG12 ' A' ' 84' ' ' ILE . 12.5 Cg_exo -70.64 135.2 27.79 Favored 'Trans proline' 0 C--N 1.365 1.401 0 C-N-CA 122.182 1.921 . . . . 0.0 111.734 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 93.1 p -65.07 -21.21 66.79 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.447 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.2 m -66.16 -22.01 66.35 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.5 HD12 HD11 ' A' ' 41' ' ' ILE . 30.1 pt -95.4 -5.21 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.4 m -122.41 163.55 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 111.539 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -137.63 114.61 10.72 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.218 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -69.71 130.13 41.5 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.062 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -127.11 -34.3 2.34 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.548 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.78 127.66 18.3 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 55.9 m -89.0 124.83 34.64 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 40.4 mt -87.29 -39.62 15.22 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.485 -178.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -152.81 125.06 3.88 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.58 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -49.37 130.13 24.39 Favored 'Trans proline' 0 C--N 1.37 1.665 0 C-N-CA 123.173 2.582 . . . . 0.0 114.306 -178.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.425 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -109.39 86.33 0.44 Allowed Glycine 0 C--N 1.334 0.447 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -126.24 30.81 5.53 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.6 t -122.74 109.66 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.87 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -75.03 120.38 20.48 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.65 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.7 131.47 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.867 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -78.51 164.02 25.07 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.675 -0.238 . . . . 0.0 110.993 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 66.9 p -97.86 152.14 19.5 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.778 0.323 . . . . 0.0 111.331 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -113.0 -170.65 1.71 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.232 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.87 2.57 41.98 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -106.78 18.04 22.39 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.763 0.316 . . . . 0.0 110.649 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -102.66 -34.64 8.99 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.916 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -144.44 61.25 1.34 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.39 0.614 . . . . 0.0 111.221 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.2 t80 . . . . . 0 CA--C 1.533 0.323 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.533 -179.352 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.676 0 CA-C-O 119.709 -0.495 . . . . 0.0 113.019 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -81.84 118.21 3.06 Favored 'Trans proline' 0 C--N 1.363 1.327 0 C-N-CA 122.792 2.328 . . . . 0.0 111.832 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.533 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 31.0 mtm -127.61 167.89 16.81 Favored Pre-proline 0 CA--C 1.543 0.678 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.288 -178.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.533 ' HD2' ' HB3' ' A' ' 4' ' ' MET . 73.5 Cg_endo -73.58 -176.16 2.4 Favored 'Trans proline' 0 C--N 1.376 1.994 0 C-N-CA 122.275 1.983 . . . . 0.0 112.337 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -90.13 131.23 36.09 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.8 mt -90.26 -29.78 17.94 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.515 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.26 -174.6 4.63 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.35 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -127.52 -46.71 1.45 Allowed 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -129.19 155.03 46.18 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.803 0.335 . . . . 0.0 110.933 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.5 pttt -138.3 167.36 22.03 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.083 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -101.59 127.94 48.08 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 70.9 m -130.59 171.28 13.22 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.776 0.672 . . . . 0.0 110.707 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.449 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -78.21 -29.98 48.62 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.542 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -153.1 178.48 9.67 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.093 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -62.24 -22.4 65.94 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.279 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -88.68 -22.01 23.63 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.813 -0.176 . . . . 0.0 111.246 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.0 t 54.58 32.71 17.56 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.743 0.782 . . . . 0.0 109.859 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.0 t -100.64 2.8 41.97 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.275 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -106.37 152.22 40.5 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.61 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.487 ' HB2' HD13 ' A' ' 91' ' ' LEU . 40.7 Cg_endo -91.3 122.82 0.76 Allowed 'Trans proline' 0 C--N 1.368 1.562 0 C-N-CA 122.809 2.339 . . . . 0.0 112.067 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 36.7 mt -71.21 -65.32 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.549 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.1 t -134.55 140.18 45.95 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.051 0.453 . . . . 0.0 112.158 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.3 ttp -89.79 114.94 26.74 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.127 -0.942 . . . . 0.0 108.936 178.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.72 141.5 48.32 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.6 t -97.76 136.14 29.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.129 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.07 134.85 46.06 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.982 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.6 mt -97.62 -21.47 17.03 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.47 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -149.81 -179.45 7.14 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -87.2 150.69 23.75 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.485 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -151.85 137.15 17.55 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.653 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -112.77 139.15 48.63 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.28 107.81 37.8 Favored Pre-proline 0 CA--C 1.537 0.462 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -85.68 -42.04 0.06 OUTLIER 'Trans proline' 0 C--N 1.362 1.24 0 C-N-CA 122.385 2.056 . . . . 0.0 112.946 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -91.3 163.32 14.27 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.103 0.561 . . . . 0.0 111.486 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.2 t -60.68 -46.55 89.94 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.425 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -74.59 1.4 12.19 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -101.45 148.64 24.94 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 117.993 0.36 . . . . 0.0 110.968 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.38 142.73 46.3 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.018 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 66.7 m -88.77 125.12 34.74 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.436 HD12 HD12 ' A' ' 84' ' ' ILE . 75.7 mt -128.22 138.71 53.89 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.541 -178.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -104.32 156.81 17.6 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.806 178.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.9 ttp85 -63.32 115.65 4.76 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.549 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.89 3.15 49.16 Favored Glycine 0 C--N 1.34 0.756 0 CA-C-O 119.473 -0.626 . . . . 0.0 114.363 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -78.86 140.46 38.15 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 117.903 0.851 . . . . 0.0 111.689 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.7 t -83.1 100.9 7.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.0 t -105.15 124.99 60.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 111.485 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -91.47 124.76 35.89 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.276 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.8 t -87.47 134.12 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -113.53 -28.08 7.65 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 57.1 p -153.47 158.44 41.36 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -127.91 113.03 15.36 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.063 178.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.6 mt -69.22 151.97 45.65 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -113.79 -177.54 3.16 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.923 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.59 -132.96 11.68 Favored Glycine 0 C--N 1.34 0.772 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.586 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -72.66 -20.82 61.19 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.639 0.256 . . . . 0.0 110.814 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -105.47 46.91 1.11 Allowed Glycine 0 C--N 1.335 0.522 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.971 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -68.53 -26.69 65.56 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 122.499 0.32 . . . . 0.0 110.665 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 mp -89.58 -5.53 57.11 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.787 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -95.01 121.85 37.05 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.246 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 30.4 m0 -109.94 -172.9 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.29 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -160.57 158.1 29.56 Favored Glycine 0 C--N 1.336 0.528 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.371 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 166.6 -159.33 32.63 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 121.415 -0.421 . . . . 0.0 112.221 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 97.7 p -130.43 144.31 51.32 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.562 0.22 . . . . 0.0 110.692 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.5 p -89.17 133.0 32.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 CA-C-O 121.16 0.505 . . . . 0.0 111.333 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 . . . . . 0 CA--C 1.538 0.489 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.942 -179.644 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.359 0 CA-C-O 121.149 0.5 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -139.25 -22.96 0.91 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.427 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -106.34 3.88 27.99 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.685 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.0 mt 58.75 178.42 0.07 Allowed 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -174.56 130.32 1.76 Allowed Glycine 0 C--N 1.336 0.531 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.579 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.442 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 72.3 m-85 -85.53 148.1 26.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.993 0.425 . . . . 0.0 111.379 -178.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -151.6 155.74 34.28 Favored Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.887 -178.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -74.68 134.86 18.93 Favored 'Trans proline' 0 C--N 1.367 1.535 0 C-N-CA 122.201 1.934 . . . . 0.0 111.671 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 90.5 p -64.93 -17.52 64.43 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.864 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.9 t -66.31 -19.71 65.89 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.436 HD12 HD12 ' A' ' 41' ' ' ILE . 25.7 pt -97.25 -1.98 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -179.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.7 m -117.88 163.22 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-O 121.121 0.486 . . . . 0.0 112.162 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 64.4 ttt-85 -131.04 108.66 9.94 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.766 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -74.99 125.81 29.7 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.282 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -120.47 -34.08 3.71 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -146.45 138.53 24.92 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.1 m -94.23 122.15 36.47 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.487 HD13 ' HB2' ' A' ' 21' ' ' PRO . 13.7 mt -84.87 -30.52 24.38 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.341 -178.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -161.38 125.98 2.08 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.583 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -51.21 144.17 30.69 Favored 'Trans proline' 0 C--N 1.374 1.889 0 C-N-CA 122.808 2.339 . . . . 0.0 114.023 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.449 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -122.42 83.83 0.36 Allowed Glycine 0 C--N 1.337 0.614 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.72 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.22 15.05 14.02 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.783 0.325 . . . . 0.0 110.807 -178.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.8 t -114.8 101.57 12.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.212 -178.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -76.07 125.84 29.88 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.595 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 23.1 t -125.0 132.31 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.977 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.54 169.12 17.9 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.955 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 72.9 p -98.78 154.82 17.71 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.416 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -109.9 -170.84 1.72 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.802 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.406 ' HB2' ' NZ ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -79.29 -21.41 46.04 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.38 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -81.24 -3.19 51.59 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.088 0.242 . . . . 0.0 111.652 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.69 -14.55 37.07 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.292 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -115.37 -34.97 4.77 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.302 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 20.9 t80 . . . . . 0 CA--C 1.531 0.217 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.549 -178.602 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.64 0 CA-C-O 119.621 -0.544 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.12 135.07 18.38 Favored 'Trans proline' 0 C--N 1.363 1.3 0 C-N-CA 122.548 2.166 . . . . 0.0 111.95 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.432 ' HE1' ' NH2' ' A' ' 37' ' ' ARG . 3.5 ppp? -149.54 163.23 25.84 Favored Pre-proline 0 CA--C 1.548 0.887 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.09 -178.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -51.51 159.95 2.87 Favored 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 123.362 2.708 . . . . 0.0 114.191 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -75.83 153.92 36.52 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.616 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.454 HD12 HH21 ' A' ' 37' ' ' ARG . 68.7 mt -115.92 -35.59 4.4 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.647 178.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.79 -173.43 4.1 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.598 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -131.6 -44.28 1.0 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.487 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.8 mtt85 -129.8 158.17 40.18 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.078 0.466 . . . . 0.0 111.423 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -132.29 174.96 9.69 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.029 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.7 mt -119.9 120.71 37.21 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.57 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 62.9 m -122.17 -179.83 4.3 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.576 0.547 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.433 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -80.25 -27.83 38.59 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.558 179.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -149.27 173.83 13.06 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.466 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -65.91 -13.19 59.25 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -89.83 -21.4 22.6 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.2 m 57.15 31.32 19.8 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 121.637 0.732 . . . . 0.0 109.767 -177.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.9 t -100.44 -10.82 20.74 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.863 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -98.17 149.67 35.97 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.893 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -91.35 120.16 0.61 Allowed 'Trans proline' 0 C--N 1.368 1.555 0 C-N-CA 122.891 2.394 . . . . 0.0 111.625 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.5 mt -64.94 -64.96 0.61 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.159 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.546 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 61.2 p -138.04 141.43 40.36 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.49 ' HB2' HD11 ' A' ' 91' ' ' LEU . 15.2 tmm? -89.76 122.45 32.85 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.184 -0.916 . . . . 0.0 108.835 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -123.27 155.0 38.06 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.3 t -103.98 134.43 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.285 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.86 133.87 36.28 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -93.41 -21.54 19.46 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -152.93 -178.71 7.08 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.12 155.35 19.11 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.542 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -151.07 140.28 21.25 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.857 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.5 mmt -110.75 137.15 48.78 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.174 0.297 . . . . 0.0 110.455 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.403 ' H ' ' HG1' ' A' ' 40' ' ' THR . . . -84.26 111.5 34.22 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.92 -59.09 0.03 OUTLIER 'Trans proline' 0 C--N 1.364 1.385 0 C-N-CA 122.56 2.173 . . . . 0.0 112.123 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -91.43 170.62 9.81 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.022 0.439 . . . . 0.0 112.046 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.6 p -62.08 -25.83 67.93 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.454 HH21 HD12 ' A' ' 7' ' ' LEU . 15.8 mtm-85 -90.76 3.21 54.97 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -177.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -105.5 163.93 12.27 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.717 0.69 . . . . 0.0 112.737 -178.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.404 ' HG ' ' HA3' ' A' ' 78' ' ' GLY . 32.3 mt -115.03 151.58 33.97 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.59 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.403 ' HG1' ' H ' ' A' ' 33' ' ' ALA . 52.3 m -103.96 109.58 21.39 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 177.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 57.8 mt -111.44 151.81 13.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.12 -177.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -115.98 152.53 33.31 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.885 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -63.06 124.55 21.43 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.648 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.69 -11.08 62.83 Favored Glycine 0 C--N 1.338 0.678 0 C-N-CA 120.942 -0.647 . . . . 0.0 114.013 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -74.22 154.17 39.13 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.428 0.614 . . . . 0.0 111.665 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 t -92.09 115.78 31.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.883 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.9 t -113.4 124.16 69.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-O 120.641 0.258 . . . . 0.0 110.843 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -95.29 126.62 40.72 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.883 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.5 t -87.79 129.95 38.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.86 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.406 ' HB2' ' HA2' ' A' ' 63' ' ' GLY . 19.1 m-85 -111.24 -28.59 8.19 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.31 0.381 . . . . 0.0 111.789 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.4 p -148.66 163.75 36.37 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -133.32 109.72 9.56 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.3 mt -67.76 152.67 45.21 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.517 0.199 . . . . 0.0 111.361 -178.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -122.79 178.52 4.99 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.05 -133.54 11.58 Favored Glycine 0 C--N 1.337 0.603 0 C-N-CA 121.182 -0.532 . . . . 0.0 112.741 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -35.56 62.91 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.618 0.247 . . . . 0.0 110.917 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -105.37 48.18 1.0 Allowed Glycine 0 C--N 1.335 0.505 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.936 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.2 ptt-85 -71.5 -8.41 53.76 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -88.18 0.45 56.04 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.619 0.247 . . . . 0.0 110.795 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -102.69 122.28 44.13 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.645 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 36.2 m0 -111.07 134.48 52.64 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -91.74 166.53 30.25 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.403 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.406 ' HA2' ' HB2' ' A' ' 50' ' ' PHE . . . 152.31 -167.74 31.36 Favored Glycine 0 C--N 1.333 0.377 0 N-CA-C 111.975 -0.45 . . . . 0.0 111.975 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.7 p -126.43 156.59 40.37 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.594 0.235 . . . . 0.0 111.039 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.1 p -104.43 128.67 57.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 . . . . . 0 CA--C 1.531 0.229 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.679 179.879 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.369 0 CA-C-O 120.976 0.417 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -96.19 -41.66 8.58 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.179 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.0 ppt_? -121.74 1.85 10.0 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.869 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 40.56 -157.63 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.953 1.301 . . . . 0.0 113.714 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.404 ' HA3' ' HG ' ' A' ' 39' ' ' LEU . . . -172.22 -159.33 18.41 Favored Glycine 0 C--N 1.345 1.028 0 C-N-CA 121.058 -0.591 . . . . 0.0 112.561 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -122.44 157.1 32.68 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 122.436 0.294 . . . . 0.0 110.619 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -155.95 151.51 21.9 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.931 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -72.39 132.24 18.88 Favored 'Trans proline' 0 C--N 1.367 1.547 0 C-N-CA 122.255 1.97 . . . . 0.0 111.614 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 92.1 p -63.78 -23.19 67.26 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.404 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.2 p -65.88 -23.16 66.59 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.5 pt -95.35 -1.33 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.8 m -120.64 140.81 43.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 121.043 0.449 . . . . 0.0 111.987 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -112.22 112.39 23.96 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.011 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.2 mp0 -88.64 116.73 27.1 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.822 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -115.09 -27.98 7.14 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.562 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -135.25 140.46 45.24 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.2 m -106.72 124.55 49.78 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.442 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.49 HD11 ' HB2' ' A' ' 24' ' ' MET . 9.5 mt -86.48 -32.51 20.75 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.74 132.85 6.72 Favored Pre-proline 0 CA--C 1.542 0.659 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.075 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -61.27 128.88 26.37 Favored 'Trans proline' 0 C--N 1.365 1.419 0 C-N-CA 123.012 2.474 . . . . 0.0 113.707 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.433 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -101.7 89.92 0.8 Allowed Glycine 0 C--N 1.335 0.497 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -129.9 28.95 5.03 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 44.5 t -121.27 143.79 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.896 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -111.0 119.02 37.67 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.669 0.271 . . . . 0.0 111.5 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 12.6 t -127.47 135.14 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.11 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -81.07 160.82 24.4 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.569 0.223 . . . . 0.0 111.257 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 81.7 p -94.39 161.99 14.01 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.044 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -98.74 -179.61 4.35 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.726 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.29 -21.09 36.31 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.362 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -80.21 -10.86 59.77 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.988 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -79.93 -14.51 58.55 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.05 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -116.71 -36.06 4.01 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.971 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 28.2 t80 . . . . . 0 CA--C 1.534 0.349 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.274 -178.689 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.494 0 CA-C-O 119.765 -0.464 . . . . 0.0 113.35 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -84.54 136.88 6.58 Favored 'Trans proline' 0 C--N 1.363 1.299 0 C-N-CA 122.875 2.383 . . . . 0.0 112.557 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.421 ' HE2' HH21 ' A' ' 37' ' ' ARG . 2.6 ppp? -151.96 159.63 32.73 Favored Pre-proline 0 CA--C 1.543 0.691 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.655 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -47.42 142.38 12.97 Favored 'Trans proline' 0 C--N 1.377 2.062 0 C-N-CA 123.082 2.521 . . . . 0.0 113.922 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -83.44 166.92 17.95 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.428 -179.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 47.3 mt -93.99 -40.95 9.83 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.39 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.28 -171.53 3.86 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.949 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -119.33 -32.37 4.39 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.597 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.607 ' HG2' ' HG3' ' A' ' 99' ' ' LYS . 98.9 mtt180 -129.21 157.98 40.31 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.972 0.415 . . . . 0.0 111.259 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.45 152.17 38.6 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.593 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -91.66 144.86 25.09 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 75.5 m -141.25 166.29 25.17 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.987 0.804 . . . . 0.0 110.228 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.82 -35.21 60.07 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.871 0.367 . . . . 0.0 110.227 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.8 p-10 -131.05 169.44 15.85 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.428 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -69.16 -13.95 62.71 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.938 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -90.58 -15.87 29.79 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.602 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 75.5 m 57.55 28.15 15.16 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.469 0.652 . . . . 0.0 110.349 -178.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.2 t -102.84 6.59 39.29 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.75 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -112.63 150.02 42.06 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.1 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -90.23 116.81 0.62 Allowed 'Trans proline' 0 C--N 1.367 1.537 0 C-N-CA 122.884 2.39 . . . . 0.0 111.996 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.8 mt -64.11 -68.41 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.986 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 p -131.94 152.67 50.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.29 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.411 ' HB3' ' NE2' ' A' ' 89' ' ' GLN . 15.1 tmm? -107.82 123.07 48.02 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.717 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -123.49 148.66 46.01 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -178.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.5 t -99.61 133.49 42.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.837 178.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.27 135.68 46.07 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.743 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.6 mt -97.32 -19.11 18.74 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.464 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -149.25 -176.04 5.22 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -90.49 150.83 21.63 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.329 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -151.38 136.9 17.79 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.527 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.5 mmt -112.32 141.93 45.44 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.282 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.01 108.98 29.63 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -78.01 -51.81 0.07 OUTLIER 'Trans proline' 0 C--N 1.368 1.576 0 C-N-CA 122.706 2.271 . . . . 0.0 112.38 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -90.25 164.71 14.28 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.442 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.1 p -64.24 -25.78 68.21 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.421 HH21 ' HE2' ' A' ' 4' ' ' MET . 40.4 ptt85 -92.57 5.78 49.65 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 -178.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -98.6 162.29 13.21 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 117.787 0.267 . . . . 0.0 110.752 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.491 HD22 HG12 ' A' ' 65' ' ' VAL . 34.0 mt -116.69 136.21 53.15 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.1 m -90.33 111.32 22.49 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.6 mt -114.48 151.24 16.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.441 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -116.19 154.98 29.1 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.202 178.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -64.18 116.75 6.27 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.548 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.81 -0.06 52.19 Favored Glycine 0 C--N 1.339 0.703 0 C-N-CA 121.089 -0.576 . . . . 0.0 114.173 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -83.12 152.15 25.43 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 117.519 0.66 . . . . 0.0 111.848 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.2 t -88.32 114.71 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.96 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.8 t -116.22 133.47 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 120.677 0.275 . . . . 0.0 111.082 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -102.76 130.25 49.67 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.801 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.8 t -94.5 125.79 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.213 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -107.87 -29.87 8.82 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.6 p -145.43 143.56 30.12 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.594 0.591 . . . . 0.0 112.594 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -119.39 110.08 16.53 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.137 178.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.8 mt -71.13 151.96 43.92 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -115.4 -133.48 0.34 Allowed 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.876 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.78 -136.35 38.45 Favored Glycine 0 C--N 1.35 1.322 0 C-N-CA 121.529 -0.367 . . . . 0.0 113.32 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -86.87 -0.7 56.93 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.618 0.246 . . . . 0.0 110.705 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -132.77 60.79 0.66 Allowed Glycine 0 C--N 1.335 0.498 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.035 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -6.22 40.28 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.3 pp -96.84 1.36 50.55 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.573 0.225 . . . . 0.0 110.93 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -96.81 122.08 39.38 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.055 0.455 . . . . 0.0 110.794 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 35.4 m0 -110.95 -178.9 3.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.619 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.408 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -163.49 163.58 35.72 Favored Glycine 0 C--N 1.333 0.415 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.21 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 161.63 -142.56 8.12 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 121.104 -0.57 . . . . 0.0 112.249 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.2 p -132.95 133.04 42.67 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.567 0.223 . . . . 0.0 110.635 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.491 HG12 HD22 ' A' ' 39' ' ' LEU . 6.5 p -92.33 127.41 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-O 121.209 0.528 . . . . 0.0 111.553 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 . . . . . 0 C--O 1.235 0.301 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.472 179.469 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.373 0 CA-C-O 120.964 0.411 . . . . 0.0 111.413 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -140.25 -0.42 1.63 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.605 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -108.35 -19.3 13.51 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 71.8 mt 56.93 104.22 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.881 0 O-C-N 124.388 1.055 . . . . 0.0 112.472 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.443 ' HA3' ' HG ' ' A' ' 39' ' ' LEU . . . -110.12 -161.4 18.49 Favored Glycine 0 C--N 1.334 0.423 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.104 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.408 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 54.9 m-85 -132.76 156.78 46.44 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 120.87 0.367 . . . . 0.0 111.123 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -156.05 150.4 19.97 Favored Pre-proline 0 CA--C 1.541 0.619 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.724 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -74.38 137.03 22.65 Favored 'Trans proline' 0 C--N 1.367 1.509 0 C-N-CA 122.388 2.059 . . . . 0.0 111.998 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 97.4 p -65.32 -20.69 66.52 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.341 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.5 t -65.78 -22.85 66.61 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.0 pt -96.67 -2.76 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.1 m -115.66 152.02 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.988 0.423 . . . . 0.0 111.888 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -124.22 110.72 15.01 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.511 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -75.18 128.64 35.94 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.9 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.59 -38.11 5.28 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.853 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.411 ' NE2' ' HB3' ' A' ' 24' ' ' MET . 0.4 OUTLIER -149.83 170.01 19.76 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -179.582 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.1 m -123.63 131.59 53.65 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.251 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.7 mt -88.4 -44.14 10.97 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.946 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -144.38 135.74 12.65 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.817 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -61.5 128.61 25.29 Favored 'Trans proline' 0 C--N 1.366 1.492 0 C-N-CA 122.991 2.461 . . . . 0.0 113.334 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -96.8 88.44 0.99 Allowed Glycine 0 C--N 1.334 0.468 0 N-CA-C 111.434 -0.667 . . . . 0.0 111.434 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -128.66 19.0 6.21 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.6 t -107.57 108.81 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -80.43 111.43 16.83 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.153 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 32.1 t -122.95 133.1 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.019 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.607 ' HG3' ' HG2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -79.34 157.73 27.61 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.173 179.789 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 71.0 p -91.98 155.27 18.25 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -106.42 -175.45 2.8 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.736 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -68.87 -35.21 76.63 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.103 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -87.88 45.72 1.31 Allowed 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.032 0.444 . . . . 0.0 112.046 -178.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -124.85 -29.68 3.36 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.508 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -122.11 38.22 4.18 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.264 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.3 t80 . . . . . 0 CA--C 1.533 0.323 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.856 -179.279 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.553 0 CA-C-O 119.612 -0.549 . . . . 0.0 112.709 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -82.4 130.04 6.05 Favored 'Trans proline' 0 C--N 1.362 1.249 0 C-N-CA 122.577 2.184 . . . . 0.0 112.193 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.1 ptm -145.42 157.45 52.51 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.75 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.66 168.93 3.64 Favored 'Trans proline' 0 C--N 1.374 1.891 0 C-N-CA 122.792 2.328 . . . . 0.0 113.651 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -72.46 155.17 40.39 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.829 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.1 tp -109.04 -20.51 13.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.162 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -154.06 170.55 20.86 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.53 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -99.26 -61.22 1.4 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.384 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -125.37 164.25 20.81 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.24 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.7 pttt -143.85 166.38 25.09 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.674 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' A' ' 51' ' ' SER . 3.7 mm? -98.07 129.07 44.92 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.767 178.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 78.6 m -133.01 171.9 13.35 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.841 0.713 . . . . 0.0 110.64 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.454 ' HB2' ' HG2' ' A' ' 92' ' ' LYS . . . -81.23 -33.59 32.76 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.438 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -139.8 173.97 10.99 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.825 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -66.13 -17.14 64.52 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.666 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -89.51 -19.28 25.24 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 91.0 m 58.34 26.71 14.36 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.428 0.632 . . . . 0.0 109.797 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.2 t -95.91 -12.92 24.38 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.626 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -95.33 150.55 37.74 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.773 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -90.88 124.35 0.95 Allowed 'Trans proline' 0 C--N 1.367 1.52 0 C-N-CA 122.897 2.398 . . . . 0.0 111.954 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.2 mt -66.97 -62.56 1.19 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.003 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.1 t -141.92 144.41 33.76 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.997 0.427 . . . . 0.0 111.814 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.5 tmm? -89.18 114.93 26.28 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.21 147.36 39.07 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -178.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.9 t -97.13 139.35 19.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.136 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.44 138.24 34.45 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.235 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 mp -99.7 -39.08 8.43 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.413 ' HA ' ' HB3' ' A' ' 43' ' ' ARG . 1.5 pt20 -138.55 168.14 20.42 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -71.8 153.56 41.86 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.349 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -151.58 125.73 9.27 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.169 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -101.6 131.31 47.87 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.164 0.29 . . . . 0.0 110.237 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.63 124.31 36.62 Favored Pre-proline 0 CA--C 1.533 0.327 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -78.14 -61.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.366 1.458 0 C-N-CA 122.694 2.263 . . . . 0.0 112.09 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -91.31 165.62 13.34 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.472 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.0 t -64.22 -22.82 67.08 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.318 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -61.42 -24.39 66.49 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.988 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -109.59 166.88 10.56 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.609 0.242 . . . . 0.0 111.222 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.436 ' HG ' ' HA3' ' A' ' 78' ' ' GLY . 28.1 mt -116.62 136.43 52.98 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.151 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 53.2 m -88.78 108.23 19.39 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.453 HG12 HG23 ' A' ' 65' ' ' VAL . 53.4 mt -110.24 139.05 35.35 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -176.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 54.9 m170 -103.99 137.17 42.35 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 177.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.413 ' HB3' ' HA ' ' A' ' 29' ' ' GLN . 9.4 ptm180 -60.56 132.37 53.68 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.143 0.497 . . . . 0.0 112.161 -178.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.55 -14.33 59.28 Favored Glycine 0 C--N 1.336 0.574 0 CA-C-N 115.418 -0.81 . . . . 0.0 113.158 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -78.28 166.16 23.03 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.019 0.438 . . . . 0.0 111.854 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 t -96.99 121.16 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.963 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.1 t -119.81 121.79 67.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 O-C-N 123.125 0.266 . . . . 0.0 110.354 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -92.25 125.95 37.13 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.809 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.3 t -87.91 129.15 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.067 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -112.27 -33.81 6.1 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.457 ' HA ' ' O ' ' A' ' 12' ' ' LEU . 71.0 p -147.05 150.01 34.22 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -178.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -119.22 115.71 24.77 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.364 -0.835 . . . . 0.0 108.763 177.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.4 mt -66.83 148.46 51.9 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -116.51 -27.47 6.73 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.522 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -67.9 -111.12 0.02 OUTLIER Glycine 0 C--N 1.339 0.734 0 N-CA-C 113.954 0.341 . . . . 0.0 113.954 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -86.94 12.2 11.74 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.777 0.322 . . . . 0.0 110.928 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -124.4 58.96 0.64 Allowed Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.058 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -55.5 -53.19 59.48 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.057 0.456 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.3 mt -97.99 18.14 16.67 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.076 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -111.26 124.59 52.53 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.37 0.605 . . . . 0.0 111.353 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 45.2 m0 -109.46 -171.37 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.091 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -163.15 163.3 35.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.395 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 164.8 -144.09 9.06 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 112.121 -0.392 . . . . 0.0 112.121 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.1 m -140.78 142.01 34.74 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.692 0.282 . . . . 0.0 110.407 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.453 HG23 HG12 ' A' ' 41' ' ' ILE . 43.5 t -90.5 131.74 36.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.321 -179.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 . . . . . 0 CA--C 1.533 0.315 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.437 179.074 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.328 0 CA-C-O 120.8 0.333 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.81 -46.44 36.75 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.922 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.94 154.58 21.96 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.832 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.76 133.39 34.72 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.231 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.436 ' HA3' ' HG ' ' A' ' 39' ' ' LEU . . . -128.19 179.62 16.43 Favored Glycine 0 C--N 1.337 0.62 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.027 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -126.35 157.42 38.51 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.891 0.346 . . . . 0.0 111.092 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -154.6 153.96 28.59 Favored Pre-proline 0 CA--C 1.542 0.657 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.236 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo -72.36 137.2 27.84 Favored 'Trans proline' 0 C--N 1.369 1.626 0 C-N-CA 122.397 2.065 . . . . 0.0 112.092 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 93.7 p -64.69 -23.4 67.24 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.674 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.4 m -65.62 -18.63 65.46 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.9 pt -101.97 0.98 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.9 m -122.84 155.5 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-O 120.813 0.339 . . . . 0.0 111.565 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 53.0 ttt85 -133.64 108.42 8.55 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.474 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -67.97 124.12 22.51 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.394 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -111.03 -47.24 3.23 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.584 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -138.78 129.11 25.73 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.2 m -83.79 122.01 28.09 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.698 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.5 mt -86.05 -29.75 23.17 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.169 -178.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.454 ' HG2' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -155.54 132.78 6.38 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.031 -179.688 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -60.46 125.97 18.77 Favored 'Trans proline' 0 C--N 1.366 1.472 0 C-N-CA 123.075 2.517 . . . . 0.0 113.684 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -97.58 93.3 1.4 Allowed Glycine 0 C--N 1.335 0.481 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.246 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -137.61 29.09 2.66 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -178.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.7 t -124.03 115.06 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.149 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -85.36 116.72 23.85 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.457 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 16.7 t -128.62 137.98 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.107 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.9 pptp? -78.38 168.17 20.22 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.88 -0.145 . . . . 0.0 111.205 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 76.5 p -91.55 146.52 23.72 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.838 0.352 . . . . 0.0 111.304 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -101.59 -174.92 2.71 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.478 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.57 -16.1 52.7 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -81.0 -8.88 59.88 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.728 0.299 . . . . 0.0 110.813 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -80.55 -22.19 41.05 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.598 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -126.85 35.05 4.67 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.78 0.324 . . . . 0.0 110.879 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.9 t80 . . . . . 0 CA--C 1.533 0.326 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.406 -179.359 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.649 0 CA-C-O 119.695 -0.503 . . . . 0.0 112.698 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -77.25 142.55 21.53 Favored 'Trans proline' 0 C--N 1.362 1.256 0 C-N-CA 122.567 2.178 . . . . 0.0 112.514 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.466 ' HE2' ' HD2' ' A' ' 37' ' ' ARG . 13.0 ptm -154.67 163.76 23.21 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.439 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -45.36 143.73 5.24 Favored 'Trans proline' 0 C--N 1.381 2.246 0 C-N-CA 122.813 2.342 . . . . 0.0 113.568 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 7' ' ' LEU . 28.9 mtpp -78.39 -12.43 60.0 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.594 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 6' ' ' LYS . 4.0 mm? 76.42 -48.32 0.56 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.225 1.01 . . . . 0.0 110.943 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.85 -160.16 1.09 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.041 0.536 . . . . 0.0 110.074 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -125.91 -38.86 2.15 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 120.448 0.166 . . . . 0.0 111.134 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.416 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 8.0 mpt_? -122.52 162.17 22.26 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.761 0.315 . . . . 0.0 111.264 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -132.15 168.49 17.92 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.329 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 51' ' ' SER . 73.6 mt -115.94 131.73 56.85 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.333 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 71.7 m -132.98 168.66 18.07 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 123.504 0.502 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.444 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -76.15 -37.1 58.38 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.088 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -139.6 174.01 10.95 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.818 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -67.56 -9.86 46.54 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -91.45 -21.33 20.99 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 111.49 0.181 . . . . 0.0 111.49 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.6 m 57.96 31.73 21.0 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.691 0.758 . . . . 0.0 109.793 -177.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.9 t -100.03 -13.64 18.97 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.845 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -98.48 153.4 38.0 Favored Pre-proline 0 CA--C 1.537 0.477 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.933 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -92.64 130.67 0.95 Allowed 'Trans proline' 0 C--N 1.37 1.661 0 C-N-CA 122.946 2.43 . . . . 0.0 112.027 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.2 mt -73.75 -62.48 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.109 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.4 p -139.64 148.81 42.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.933 0.397 . . . . 0.0 111.921 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -98.52 119.29 36.97 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.959 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.49 149.99 41.54 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.5 t -100.07 134.75 38.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.622 178.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.22 132.64 44.36 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.794 0.33 . . . . 0.0 111.346 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.402 HD13 ' HB2' ' A' ' 86' ' ' ARG . 83.8 mt -94.01 -24.62 17.57 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.737 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -149.25 -174.93 4.79 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -91.17 151.21 21.05 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.436 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -151.41 136.69 17.6 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.343 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.4 mmt -116.1 137.33 52.22 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.235 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.526 ' H ' ' HG1' ' A' ' 40' ' ' THR . . . -99.96 110.41 59.25 Favored Pre-proline 0 CA--C 1.535 0.39 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -178.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -74.47 -55.02 0.09 OUTLIER 'Trans proline' 0 C--N 1.363 1.326 0 C-N-CA 122.408 2.072 . . . . 0.0 111.515 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -91.44 161.77 14.85 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.775 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.4 p -61.39 -26.21 67.7 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.804 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.466 ' HD2' ' HE2' ' A' ' 4' ' ' MET . 1.9 tmt_? -68.68 -29.5 67.96 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.528 -178.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -89.94 168.81 11.74 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.452 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.513 ' HB2' ' HA3' ' A' ' 78' ' ' GLY . 57.7 tp -125.17 136.88 54.03 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.419 -179.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.526 ' HG1' ' H ' ' A' ' 33' ' ' ALA . 28.6 m -89.37 121.89 32.07 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 70.5 mt -127.73 147.19 32.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.164 -178.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -112.88 152.51 29.19 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.199 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.9 ttp85 -62.93 120.93 12.29 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.639 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.92 -7.34 57.25 Favored Glycine 0 C--N 1.338 0.674 0 C-N-CA 120.99 -0.624 . . . . 0.0 114.102 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -79.94 152.41 29.57 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 117.49 0.645 . . . . 0.0 111.694 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.9 t -87.48 122.79 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.761 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.45 124.22 64.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 120.684 0.278 . . . . 0.0 111.218 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -95.11 128.55 42.03 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.184 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.8 t -92.0 127.58 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.254 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -108.13 -33.23 7.22 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.832 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 12' ' ' LEU . 61.4 p -136.83 142.33 42.87 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -179.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.3 mttm -125.77 111.01 14.39 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.121 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.453 ' O ' ' HA ' ' A' ' 58' ' ' ARG . 83.8 mt -68.72 156.66 37.84 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -178.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -140.42 153.96 46.5 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.74 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.93 -104.79 1.7 Allowed Glycine 0 C--N 1.335 0.502 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.869 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -85.77 -24.66 26.77 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.465 0.174 . . . . 0.0 111.053 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -132.07 58.08 0.71 Allowed Glycine 0 C--N 1.336 0.538 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.666 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.453 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -72.22 -12.79 61.32 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 179.77 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.5 mt -90.01 5.21 47.58 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -110.59 119.06 37.94 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.143 0.497 . . . . 0.0 111.261 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -111.85 -175.67 2.75 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.405 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.4 158.07 30.58 Favored Glycine 0 C--N 1.338 0.665 0 C-N-CA 120.69 -0.767 . . . . 0.0 113.048 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 172.89 -148.72 10.69 Favored Glycine 0 C--N 1.337 0.607 0 C-N-CA 121.481 -0.39 . . . . 0.0 112.681 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.451 ' HB2' ' HA ' ' A' ' 74' ' ' ALA . 88.6 p -128.35 164.17 23.23 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 122.36 0.264 . . . . 0.0 110.561 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 60.3 t -112.39 121.16 64.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-O 120.779 0.324 . . . . 0.0 111.611 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 . . . . . 0 C--O 1.234 0.28 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.025 178.706 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.451 ' HA ' ' HB2' ' A' ' 64' ' ' SER . . . . . . . . 0 C--O 1.235 0.317 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.14 -35.97 78.94 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.786 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -97.92 153.98 17.97 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.243 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.3 mt -117.96 123.36 45.58 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.025 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.513 ' HA3' ' HB2' ' A' ' 39' ' ' LEU . . . -114.96 175.01 15.69 Favored Glycine 0 C--N 1.334 0.421 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.758 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -122.72 144.71 48.98 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.09 0.472 . . . . 0.0 111.314 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -147.48 156.05 45.65 Favored Pre-proline 0 CA--C 1.541 0.617 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.221 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.05 139.47 35.84 Favored 'Trans proline' 0 C--N 1.367 1.539 0 C-N-CA 122.18 1.92 . . . . 0.0 111.424 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.8 p -63.14 -21.82 66.45 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.788 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.4 p -65.66 -21.43 66.55 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 27.7 pt -91.56 -1.68 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.0 m -125.14 154.0 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.402 ' HB2' HD13 ' A' ' 28' ' ' LEU . 67.3 ttt-85 -125.27 116.51 22.07 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.718 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -78.88 122.15 25.75 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.399 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -105.7 -36.97 6.89 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.286 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -147.7 141.66 25.89 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.8 m -98.34 123.83 42.66 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 177.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.2 mt -84.86 -39.16 18.6 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -177.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -152.91 135.24 9.06 Favored Pre-proline 0 CA--C 1.544 0.722 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -53.73 134.55 59.09 Favored 'Trans proline' 0 C--N 1.372 1.763 0 C-N-CA 123.587 2.858 . . . . 0.0 114.364 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.444 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -110.73 87.14 0.46 Allowed Glycine 0 C--N 1.335 0.488 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 178.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.9 ptpp? -130.24 34.82 4.16 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.8 t -122.42 107.54 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 120.894 0.378 . . . . 0.0 110.005 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -84.32 120.75 26.62 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.194 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.54 129.79 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.248 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.416 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 9.8 mtmp? -79.09 152.13 31.01 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.325 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.3 p -95.51 161.33 14.11 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.574 0.226 . . . . 0.0 110.986 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -119.34 -173.65 2.56 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.126 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -70.29 -35.31 73.62 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.975 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -94.38 56.64 2.17 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.386 0.612 . . . . 0.0 111.312 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.76 -51.13 1.59 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.84 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -118.84 63.44 0.78 Allowed 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.076 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 11.0 t80 . . . . . 0 CA--C 1.534 0.359 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.233 -178.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.6 0 CA-C-O 119.619 -0.545 . . . . 0.0 112.874 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -81.18 129.73 6.94 Favored 'Trans proline' 0 C--N 1.361 1.227 0 C-N-CA 122.624 2.216 . . . . 0.0 112.33 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.44 ' HE3' HH21 ' A' ' 37' ' ' ARG . 2.8 ppp? -144.32 158.62 54.27 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.746 -179.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -50.86 144.73 26.17 Favored 'Trans proline' 0 C--N 1.377 2.033 0 C-N-CA 123.283 2.656 . . . . 0.0 113.83 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -89.59 172.87 8.65 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.222 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -93.19 -43.9 8.61 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.61 -159.46 1.02 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.204 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -123.61 -34.56 3.04 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.767 -0.197 . . . . 0.0 111.189 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -126.06 159.86 31.63 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.086 0.47 . . . . 0.0 111.871 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.3 pttt -136.79 171.45 14.48 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.643 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.442 HD23 ' HZ1' ' A' ' 54' ' ' LYS . 4.1 mm? -110.18 127.62 55.03 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.082 178.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 75.2 m -134.04 166.83 21.82 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.606 0.566 . . . . 0.0 110.187 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.419 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -76.56 -39.0 54.06 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.014 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -129.5 172.11 11.89 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.381 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -68.26 -18.56 64.57 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.67 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -88.54 -20.89 24.47 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.268 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.4 t 58.05 29.16 17.36 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 124.146 0.903 . . . . 0.0 109.49 -178.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 t -92.75 -5.14 51.87 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.185 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -101.76 148.03 34.7 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.48 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -89.7 120.38 0.94 Allowed 'Trans proline' 0 C--N 1.367 1.529 0 C-N-CA 122.693 2.262 . . . . 0.0 111.454 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 60.4 mt -64.6 -65.71 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.435 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.8 m -141.24 146.57 37.02 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.119 0.485 . . . . 0.0 112.143 -178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -93.47 123.55 36.85 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.462 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.412 ' HB3' ' HB ' ' A' ' 85' ' ' VAL . . . -120.19 148.11 44.07 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.913 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.9 t -98.02 137.64 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.457 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.74 133.16 35.62 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.488 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 mp -100.25 -16.79 17.61 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -151.9 173.59 14.62 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -80.64 148.85 30.07 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.157 -0.928 . . . . 0.0 111.524 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -152.02 138.76 18.84 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.611 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.0 mmm -115.21 142.19 47.0 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.348 0.405 . . . . 0.0 110.077 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.2 108.66 25.68 Favored Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -81.01 -49.37 0.06 OUTLIER 'Trans proline' 0 C--N 1.365 1.435 0 C-N-CA 122.678 2.252 . . . . 0.0 112.479 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -90.39 164.17 14.41 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.4 t -61.45 -35.68 78.27 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.54 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.44 HH21 ' HE3' ' A' ' 4' ' ' MET . 42.9 ptt85 -88.09 12.36 13.77 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -178.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -103.68 161.07 14.22 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.609 0.243 . . . . 0.0 111.118 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.421 ' HG ' ' HA3' ' A' ' 78' ' ' GLY . 36.5 mt -118.95 143.35 47.08 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 48.3 m -95.71 116.87 29.5 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.0 mt -122.31 132.53 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.084 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -94.01 157.76 15.95 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.794 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -63.96 115.12 4.58 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.573 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.61 7.49 53.62 Favored Glycine 0 C--N 1.339 0.7 0 C-N-CA 121.005 -0.617 . . . . 0.0 114.257 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -83.44 150.86 25.78 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 117.877 0.838 . . . . 0.0 112.046 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 56.2 t -86.14 120.17 35.55 Favored 'Isoleucine or valine' 0 C--O 1.23 0.042 0 CA-C-N 114.993 -1.003 . . . . 0.0 108.956 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.0 t -123.72 125.87 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.697 0.284 . . . . 0.0 111.21 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -91.92 123.79 35.55 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.672 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.2 t -90.36 124.45 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.326 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -107.32 -35.9 6.67 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.076 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.8 p -140.48 144.38 36.0 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -178.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -124.46 110.64 14.76 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.205 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.5 mt -71.69 154.35 41.42 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HZ1' HD23 ' A' ' 12' ' ' LEU . 37.0 mtmm -112.18 -134.49 0.35 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.692 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 60.54 -143.5 47.93 Favored Glycine 0 C--N 1.351 1.397 0 N-CA-C 114.117 0.407 . . . . 0.0 114.117 179.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -77.81 -22.75 49.57 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.324 -0.438 . . . . 0.0 111.259 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -113.34 52.44 0.64 Allowed Glycine 0 C--N 1.335 0.497 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.927 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.6 ptt-85 -72.44 -6.92 46.97 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 75.8 mt -87.22 -2.2 58.45 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.308 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -98.75 119.44 37.5 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 121.417 0.627 . . . . 0.0 111.548 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 33.3 m0 -106.26 -175.31 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.035 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.402 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -166.54 164.93 38.04 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.804 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 157.36 -145.25 11.65 Favored Glycine 0 C--N 1.335 0.525 0 C-N-CA 121.511 -0.376 . . . . 0.0 112.215 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 97.7 p -126.84 162.68 25.33 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.6 p -117.33 130.83 71.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-O 121.394 0.616 . . . . 0.0 112.265 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 . . . . . 0 C--O 1.233 0.199 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.177 179.367 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.245 0 CA-C-O 120.458 0.17 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.44 -35.32 75.56 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.515 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.1 148.35 26.92 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.088 179.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.5 mt -110.32 133.05 53.64 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.57 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.421 ' HA3' ' HG ' ' A' ' 39' ' ' LEU . . . -122.45 -167.75 13.06 Favored Glycine 0 C--N 1.335 0.488 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.805 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.402 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 40.7 m-85 -130.81 156.78 44.41 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.836 0.351 . . . . 0.0 111.05 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -153.74 150.19 22.55 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.753 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.59 135.62 22.25 Favored 'Trans proline' 0 C--N 1.365 1.443 0 C-N-CA 122.285 1.99 . . . . 0.0 111.772 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.9 p -64.82 -20.04 66.18 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.719 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.3 p -66.43 -19.58 65.83 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 28.3 pt -96.78 -3.59 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.412 ' HB ' ' HB3' ' A' ' 25' ' ' ALA . 26.2 m -120.06 162.5 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 121.172 0.51 . . . . 0.0 112.042 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -134.88 115.58 13.78 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.633 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -79.23 144.89 33.95 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.271 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -146.84 -30.86 0.35 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.565 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -135.77 141.05 44.75 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 49.6 m -107.17 124.12 49.26 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.799 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.0 mt -87.83 -22.59 24.39 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.846 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -167.06 129.23 1.33 Allowed Pre-proline 0 CA--C 1.542 0.645 0 O-C-N 123.526 0.517 . . . . 0.0 110.152 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -54.28 123.76 14.37 Favored 'Trans proline' 0 C--N 1.371 1.751 0 C-N-CA 122.452 2.101 . . . . 0.0 113.401 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.419 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -104.98 93.19 0.9 Allowed Glycine 0 C--N 1.335 0.519 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 178.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.55 33.08 2.04 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.6 t -121.51 112.09 33.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.088 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -78.67 118.66 20.97 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.264 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 16.2 t -125.27 132.13 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.944 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -74.47 160.71 30.6 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.641 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.8 p -100.88 167.99 9.93 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.641 0.258 . . . . 0.0 110.612 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -119.33 -179.57 3.89 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.494 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -77.51 -27.17 51.7 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.344 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -74.11 -17.15 60.98 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.239 0.337 . . . . 0.0 111.151 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -78.08 -21.19 50.92 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.404 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -129.59 47.22 2.52 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.453 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.6 t80 . . . . . 0 N--CA 1.469 0.516 0 CA-C-O 120.945 0.402 . . . . 0.0 111.172 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.376 0 CA-C-O 119.476 -0.625 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.477 ' HA ' HH22 ' A' ' 37' ' ' ARG . 21.3 Cg_endo -90.23 130.44 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 122.888 2.392 . . . . 0.0 113.222 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.622 ' HE3' ' HD2' ' A' ' 37' ' ' ARG . 13.3 ptt? -138.22 171.66 7.96 Favored Pre-proline 0 CA--C 1.549 0.933 0 CA-C-O 118.379 -0.819 . . . . 0.0 109.166 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -46.23 139.12 12.53 Favored 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 122.474 2.116 . . . . 0.0 113.57 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -63.48 -24.99 68.06 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.356 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.4 mt 77.64 -46.04 0.46 Allowed 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.323 1.049 . . . . 0.0 111.568 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -143.56 169.87 16.9 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 122.488 0.315 . . . . 0.0 110.744 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -109.52 -42.51 4.3 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.374 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.454 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 1.7 mpp_? -125.33 155.53 40.12 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.093 0.473 . . . . 0.0 111.438 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -130.45 162.89 28.16 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.427 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.541 HD21 ' HG2' ' A' ' 54' ' ' LYS . 2.7 mm? -114.2 119.51 37.3 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.254 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.402 ' HA ' HD11 ' A' ' 22' ' ' ILE . 61.4 m -120.18 175.85 5.74 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.331 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.434 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -87.66 -21.45 25.26 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.302 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -143.38 170.51 15.65 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.446 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -67.37 -23.02 65.55 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -88.77 -17.74 29.19 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.46 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.2 t 58.45 26.22 13.93 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 124.047 0.842 . . . . 0.0 109.767 -178.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.6 t -93.65 -4.07 51.32 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 114.496 -1.229 . . . . 0.0 110.726 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -98.13 147.52 33.2 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.469 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -93.15 121.04 0.42 Allowed 'Trans proline' 0 C--N 1.365 1.412 0 C-N-CA 122.92 2.413 . . . . 0.0 112.098 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.402 HD11 ' HA ' ' A' ' 13' ' ' CYS . 49.9 mt -69.68 -66.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.511 -179.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.7 p -132.49 140.23 48.28 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.197 0.522 . . . . 0.0 112.369 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.5 ttp -91.96 114.0 26.43 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.656 178.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.96 141.85 49.29 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.4 t -93.97 133.68 34.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.315 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.01 128.96 38.13 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.96 0.409 . . . . 0.0 111.559 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.6 mt -90.97 -22.33 20.87 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.41 -0.813 . . . . 0.0 112.449 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -150.2 -174.82 4.84 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -91.6 154.26 19.17 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.082 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -151.19 134.0 15.74 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.634 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 93.6 mtp -109.65 130.04 55.54 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.576 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.84 119.14 67.27 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.88 -64.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.365 1.442 0 C-N-CA 122.65 2.233 . . . . 0.0 111.775 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -91.38 167.75 12.06 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.809 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.6 p -65.84 -15.15 62.65 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.622 ' HD2' ' HE3' ' A' ' 4' ' ' MET . 65.5 mtt85 -75.75 -27.77 58.23 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.315 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -89.96 162.3 15.47 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.648 0.261 . . . . 0.0 110.969 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.52 HD23 HG23 ' A' ' 65' ' ' VAL . 66.2 tp -119.67 136.79 54.26 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.659 -178.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.4 m -88.77 123.27 33.02 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.7 mt -127.87 144.24 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.641 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -108.97 151.54 26.18 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.377 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -63.76 121.63 14.46 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.496 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.83 -11.44 52.94 Favored Glycine 0 C--N 1.338 0.664 0 C-N-CA 121.036 -0.602 . . . . 0.0 113.769 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -78.2 149.38 33.71 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 117.196 0.498 . . . . 0.0 111.806 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.3 t -86.5 123.41 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.464 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.525 HG11 HG21 ' A' ' 65' ' ' VAL . 8.8 t -121.04 121.8 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 111.33 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -91.2 124.19 35.22 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.971 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.407 HG11 ' HZ1' ' A' ' 52' ' ' LYS . 26.7 t -88.35 131.49 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -112.04 -36.61 5.32 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.9 p -140.56 146.85 38.59 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.407 ' HZ1' HG11 ' A' ' 49' ' ' VAL . 37.0 mttm -121.9 116.18 23.92 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.3 mt -72.6 142.96 48.38 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.541 ' HG2' HD21 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -130.37 158.23 40.42 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.005 179.066 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.87 -102.13 1.35 Allowed Glycine 0 C--N 1.335 0.512 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.172 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -89.91 -17.04 28.73 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.677 0.275 . . . . 0.0 110.59 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.66 60.34 0.68 Allowed Glycine 0 C--N 1.337 0.619 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.993 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.2 tpt85 -68.78 -22.63 64.27 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 122.634 0.373 . . . . 0.0 111.349 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 73.4 mt -90.94 -1.06 57.87 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.413 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -101.13 125.88 47.79 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.103 0.477 . . . . 0.0 111.455 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -112.06 -173.41 2.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.402 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -164.99 154.05 24.61 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.767 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 170.47 -150.57 14.56 Favored Glycine 0 C--N 1.337 0.589 0 C-N-CA 121.315 -0.469 . . . . 0.0 112.437 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.5 t -142.69 146.79 34.75 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.577 0.227 . . . . 0.0 110.75 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.525 HG21 HG11 ' A' ' 47' ' ' VAL . 98.4 t -88.86 133.02 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.206 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 . . . . . 0 CA--C 1.538 0.491 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.018 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.348 0 CA-C-O 121.059 0.457 . . . . 0.0 111.624 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.41 -13.9 31.54 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.617 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.58 168.35 19.94 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.565 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.3 mt -115.47 129.21 56.48 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.217 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -113.86 -175.19 18.97 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.002 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -129.94 144.86 51.54 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.773 0.32 . . . . 0.0 110.671 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -148.09 151.25 37.29 Favored Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.016 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.51 137.91 31.42 Favored 'Trans proline' 0 C--N 1.366 1.48 0 C-N-CA 122.194 1.929 . . . . 0.0 111.443 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 93.2 p -64.8 -19.19 65.7 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.721 0.296 . . . . 0.0 111.642 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.0 p -66.61 -19.62 65.81 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 29.3 pt -95.82 -1.38 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.4 m -119.63 159.05 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 53.5 ttt85 -125.54 110.1 13.46 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.708 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -79.19 130.9 35.95 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.3 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -130.08 -31.81 1.87 Allowed 'General case' 0 C--O 1.234 0.25 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -141.79 139.55 32.8 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.925 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.2 m -100.05 125.04 46.07 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.0 mt -86.94 -24.83 24.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.599 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.414 ' NZ ' ' HB2' ' A' ' 92' ' ' LYS . 1.1 ttmp? -170.97 131.01 0.81 Allowed Pre-proline 0 N--CA 1.471 0.579 0 O-C-N 123.614 0.571 . . . . 0.0 110.09 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -54.73 133.85 59.52 Favored 'Trans proline' 0 C--N 1.368 1.598 0 C-N-CA 123.088 2.525 . . . . 0.0 114.154 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.434 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -104.07 86.8 0.53 Allowed Glycine 0 C--N 1.337 0.599 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 178.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -123.87 27.9 7.07 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 37.2 t -117.31 139.32 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -112.29 120.76 42.83 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.848 0.356 . . . . 0.0 111.129 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.72 129.82 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.159 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.454 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 7.2 mtpm? -79.56 158.74 27.08 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.394 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 58.8 p -110.9 159.38 17.75 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.717 0.294 . . . . 0.0 111.159 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -122.49 -175.45 3.14 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.754 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -15.41 61.45 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -178.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -83.09 -2.64 55.92 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.562 0.22 . . . . 0.0 111.106 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.71 -26.14 15.28 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.407 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -124.57 60.77 1.16 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.185 0.517 . . . . 0.0 111.364 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.2 t80 . . . . . 0 N--CA 1.465 0.323 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.149 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.528 0 CA-C-O 119.62 -0.544 . . . . 0.0 112.412 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -78.74 130.97 9.97 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 122.399 2.066 . . . . 0.0 112.156 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.427 ' HE3' ' HD2' ' A' ' 37' ' ' ARG . 3.0 ppp? -138.69 166.42 25.36 Favored Pre-proline 0 CA--C 1.547 0.849 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.616 -178.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 4' ' ' MET . 3.5 Cg_endo -44.68 147.27 1.84 Allowed 'Trans proline' 0 C--N 1.383 2.361 0 C-N-CA 123.466 2.778 . . . . 0.0 113.769 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 7' ' ' LEU . 9.7 mtmp? -75.65 -24.73 56.41 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.871 -178.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.459 HD23 ' NH1' ' A' ' 37' ' ' ARG . 3.7 mm? 78.44 -50.92 0.48 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.466 1.106 . . . . 0.0 110.605 -177.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.4 -166.22 2.48 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.62 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -121.23 -42.19 2.48 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.477 0.18 . . . . 0.0 111.424 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.439 ' HG2' ' HG3' ' A' ' 99' ' ' LYS . 99.3 mtt180 -126.54 161.83 27.08 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.082 0.468 . . . . 0.0 111.528 -179.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -129.63 174.13 9.97 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.477 -179.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.8 mt -119.47 114.43 22.28 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.88 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 60.2 m -121.84 171.71 8.7 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.591 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.453 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -80.18 -42.45 23.34 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -126.06 174.25 8.6 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -67.04 -19.79 65.74 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.336 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -88.63 -19.11 26.66 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.608 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.7 t 59.1 27.04 15.88 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 124.043 0.84 . . . . 0.0 109.684 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.6 t -102.73 41.41 1.25 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-N 114.528 -1.214 . . . . 0.0 109.756 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -142.64 143.17 25.13 Favored Pre-proline 0 CA--C 1.537 0.445 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.355 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -90.02 116.68 0.64 Allowed 'Trans proline' 0 C--N 1.365 1.424 0 C-N-CA 122.618 2.212 . . . . 0.0 111.762 179.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.5 mt -65.61 -65.57 0.56 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.108 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.418 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.5 m -138.54 144.56 39.97 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.026 0.441 . . . . 0.0 112.153 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -90.75 113.84 26.04 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.87 146.95 39.27 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.7 t -94.72 139.66 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.979 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.24 134.22 33.85 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mp -110.74 -0.3 17.11 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -178.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -142.82 170.39 15.79 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -96.06 137.3 35.34 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 114.262 -1.336 . . . . 0.0 109.296 177.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -150.74 143.13 24.31 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.707 0.289 . . . . 0.0 111.244 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.2 mmm -113.49 142.13 46.29 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.05 178.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.62 112.46 39.92 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.99 -58.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.364 1.351 0 C-N-CA 122.589 2.193 . . . . 0.0 112.285 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -91.45 169.0 11.13 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.454 0.645 . . . . 0.0 112.497 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 38.1 t -61.03 -24.78 66.43 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 114.508 -1.224 . . . . 0.0 114.083 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.459 ' NH1' HD23 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -102.38 15.94 27.7 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -178.418 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -109.07 162.91 13.8 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.04 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.559 ' HG ' ' HA3' ' A' ' 78' ' ' GLY . 37.9 mt -113.1 148.33 35.5 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -178.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.3 m -99.57 111.59 23.92 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 177.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 64.9 mt -110.56 152.55 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.904 -178.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -118.89 150.29 40.12 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.018 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -63.21 102.21 0.37 Allowed 'General case' 0 CA--C 1.535 0.373 0 O-C-N 123.412 0.445 . . . . 0.0 110.752 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.16 16.94 9.21 Favored Glycine 0 C--N 1.341 0.839 0 CA-C-N 115.908 -0.587 . . . . 0.0 113.203 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -91.96 143.93 25.98 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.96 0.38 . . . . 0.0 111.735 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.2 t -83.1 115.86 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.557 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.7 t -120.1 132.69 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.734 0.302 . . . . 0.0 111.366 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -101.36 124.34 46.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.318 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.9 t -86.7 130.11 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.542 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -111.99 -40.94 4.09 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.699 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 62.8 p -138.01 143.87 40.8 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -122.12 113.62 19.76 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.632 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 71.0 mt -73.03 148.29 44.27 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -123.36 168.16 12.87 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.264 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.38 -117.08 4.98 Favored Glycine 0 C--N 1.337 0.589 0 CA-C-N 116.077 -0.511 . . . . 0.0 112.737 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 83.5 mtm-85 -71.35 -31.67 67.64 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.784 0.326 . . . . 0.0 110.777 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -110.72 50.77 0.74 Allowed Glycine 0 C--N 1.334 0.448 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.833 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -68.63 -18.29 64.27 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 pp -104.32 6.53 35.32 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.691 0.282 . . . . 0.0 111.049 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -104.57 118.12 35.81 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.145 0.498 . . . . 0.0 110.932 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 36.1 m0 -109.24 179.65 4.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.168 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -160.05 156.64 27.89 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.324 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 169.8 -147.25 10.69 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.319 -0.467 . . . . 0.0 112.366 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.8 p -136.63 128.49 29.19 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.609 0.242 . . . . 0.0 110.51 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 p -88.03 126.44 41.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.227 0.537 . . . . 0.0 111.769 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.293 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.27 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.11 -35.94 78.94 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.668 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -99.03 146.57 25.91 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.247 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 27.0 mt -106.4 128.03 53.73 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.654 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.559 ' HA3' ' HG ' ' A' ' 39' ' ' LEU . . . -119.58 -173.84 15.47 Favored Glycine 0 C--N 1.334 0.449 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.203 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -129.67 147.7 51.48 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.656 0.265 . . . . 0.0 111.04 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -146.86 156.5 47.78 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.529 -178.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -77.73 126.85 8.38 Favored 'Trans proline' 0 C--N 1.37 1.667 0 C-N-CA 122.6 2.2 . . . . 0.0 112.085 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 98.1 p -63.37 -18.66 63.91 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.159 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.1 m -62.78 -17.05 60.48 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.6 pt -107.33 -6.92 10.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.9 m -105.8 161.28 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 120.644 -0.423 . . . . 0.0 111.766 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.6 ttt-85 -140.67 109.4 5.99 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.753 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -72.63 133.4 44.65 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.532 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -127.22 -34.28 2.32 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.059 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -141.15 124.35 16.47 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.9 m -88.76 126.23 35.24 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.2 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.8 mt -87.53 -42.6 12.64 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.849 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -144.7 133.35 10.99 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.697 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -61.25 131.15 35.1 Favored 'Trans proline' 0 C--N 1.367 1.508 0 C-N-CA 122.644 2.229 . . . . 0.0 113.788 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.453 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -106.59 93.45 0.86 Allowed Glycine 0 C--N 1.335 0.515 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.309 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -137.36 36.12 2.5 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 81.2 t -128.06 113.67 31.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.147 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -81.19 122.68 27.69 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.4 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 23.1 t -125.98 138.4 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.912 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.439 ' HG3' ' HG2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -79.86 153.97 28.7 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.587 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 46.0 p -98.97 135.42 40.4 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.807 0.337 . . . . 0.0 111.032 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -86.7 -174.62 5.06 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.482 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -1.58 56.67 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -102.76 21.46 15.45 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.85 0.357 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -109.18 -15.21 14.35 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.644 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -151.43 47.94 0.82 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.017 0.437 . . . . 0.0 111.813 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 31.6 t80 . . . . . 0 N--CA 1.467 0.411 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.309 179.445 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.47 0 CA-C-O 119.563 -0.576 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -81.23 111.22 2.37 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 122.498 2.132 . . . . 0.0 112.186 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -116.54 155.24 48.93 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.847 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -55.68 146.57 64.77 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 122.809 2.34 . . . . 0.0 112.962 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -61.33 136.58 58.09 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.129 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.84 -38.52 28.1 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.21 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -156.1 179.56 9.11 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.532 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -101.79 -61.23 1.41 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.029 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -118.78 150.67 39.4 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.024 0.44 . . . . 0.0 111.248 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -124.68 172.45 9.26 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.608 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.2 mt -116.81 113.64 22.82 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.466 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 63.2 m -117.43 176.94 4.93 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.54 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.445 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -81.56 -28.61 33.78 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -152.0 177.97 9.92 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.224 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -63.48 -20.93 66.01 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.313 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.1 mp0 -88.53 -21.54 24.06 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.887 -0.142 . . . . 0.0 111.07 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.9 t 54.77 31.73 16.08 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.771 0.796 . . . . 0.0 109.939 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.3 t -97.71 -5.13 35.82 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 114.722 -1.126 . . . . 0.0 111.205 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -102.12 149.94 37.04 Favored Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.669 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -93.2 128.97 0.72 Allowed 'Trans proline' 0 C--N 1.366 1.475 0 C-N-CA 122.861 2.374 . . . . 0.0 112.223 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.6 mt -71.85 -61.76 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.18 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.7 m -139.66 147.29 40.79 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 24.5 ttp -89.73 111.59 22.62 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.944 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.42 145.16 39.44 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.854 0.359 . . . . 0.0 111.884 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.8 t -99.5 139.09 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.363 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.71 133.48 34.01 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.184 0.303 . . . . 0.0 111.442 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.38 -14.81 19.01 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.509 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -151.68 -175.76 5.34 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.87 154.7 17.47 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.189 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -151.14 149.39 29.42 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.07 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.434 ' HA ' HG23 ' A' ' 40' ' ' THR . 67.3 mtm -125.1 140.1 53.19 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.831 0.348 . . . . 0.0 111.079 179.114 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.5 116.15 66.07 Favored Pre-proline 0 C--O 1.236 0.343 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.543 -178.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -72.31 -64.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.363 1.321 0 C-N-CA 122.342 2.028 . . . . 0.0 110.88 178.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -92.55 170.42 9.76 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.443 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.9 t -66.33 -12.53 57.17 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.79 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -83.27 -19.17 36.82 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -98.2 172.85 7.32 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.778 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.4 tp -126.17 138.96 53.7 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.743 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.434 HG23 ' HA ' ' A' ' 32' ' ' MET . 24.4 m -92.41 125.16 36.94 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.409 HD13 HG22 ' A' ' 47' ' ' VAL . 60.7 mt -125.25 151.64 31.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.543 -178.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -118.92 153.48 34.51 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -62.45 116.02 4.73 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.742 0.306 . . . . 0.0 111.491 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.34 2.24 44.36 Favored Glycine 0 C--N 1.339 0.703 0 C-N-CA 121.052 -0.594 . . . . 0.0 114.165 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -82.67 147.32 28.59 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 117.701 0.75 . . . . 0.0 111.677 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.1 t -85.91 105.06 14.14 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-N 115.326 -0.852 . . . . 0.0 108.787 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.409 HG22 HD13 ' A' ' 41' ' ' ILE . 11.5 t -105.41 117.68 51.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 120.968 0.413 . . . . 0.0 111.891 -178.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -85.53 121.91 28.9 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.873 178.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.8 t -87.44 114.76 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 O-C-N 123.371 0.419 . . . . 0.0 110.283 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -94.38 -38.39 10.99 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.104 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.4 p -141.68 148.5 39.2 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -178.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -120.76 115.76 23.92 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.348 -0.842 . . . . 0.0 108.772 178.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 58' ' ' ARG . 53.5 mt -70.93 152.67 43.4 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -178.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -126.72 -40.43 1.91 Allowed 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.885 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.58 103.85 0.55 Allowed Glycine 0 C--N 1.341 0.845 0 O-C-N 123.496 0.498 . . . . 0.0 113.039 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 42.54 27.86 0.1 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.723 1.209 . . . . 0.0 113.349 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -160.79 52.5 0.34 Allowed Glycine 0 C--N 1.337 0.626 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.052 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -72.4 -13.76 61.54 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 111.567 0.21 . . . . 0.0 111.567 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 73.7 mt -90.86 1.28 57.1 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.499 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -112.84 124.76 53.33 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.332 0.587 . . . . 0.0 111.43 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -110.54 -174.23 2.43 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.03 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -160.24 151.02 21.53 Favored Glycine 0 C--N 1.334 0.431 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.915 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 175.02 -152.34 13.54 Favored Glycine 0 C--O 1.24 0.518 0 C-N-CA 121.389 -0.434 . . . . 0.0 112.699 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.4 t -138.69 168.8 19.0 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 123.731 0.312 . . . . 0.0 110.608 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -105.39 121.41 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 C--O 1.236 0.347 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.722 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.288 0 CA-C-O 120.581 0.229 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.1 -37.15 69.6 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.982 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -78.78 98.91 6.47 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.657 0.741 . . . . 0.0 110.846 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.2 tp -91.3 132.18 36.32 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.922 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -142.66 -177.98 18.18 Favored Glycine 0 C--N 1.34 0.784 0 C-N-CA 120.276 -0.964 . . . . 0.0 113.627 -179.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -111.15 156.46 21.35 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.724 0.297 . . . . 0.0 111.347 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -154.13 156.87 32.27 Favored Pre-proline 0 CA--C 1.544 0.716 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.811 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.456 ' O ' HG12 ' A' ' 84' ' ' ILE . 8.6 Cg_exo -72.18 136.01 26.04 Favored 'Trans proline' 0 C--N 1.369 1.643 0 C-N-CA 122.239 1.96 . . . . 0.0 111.704 179.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 98.2 p -64.86 -23.93 67.38 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.585 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.6 m -66.55 -17.68 64.95 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 81' ' ' PRO . 21.1 pt -94.18 -6.83 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 120.407 -0.517 . . . . 0.0 112.308 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.5 m -122.38 166.97 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.879 0.371 . . . . 0.0 111.779 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -140.56 116.81 10.62 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.55 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -77.53 128.58 34.4 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.42 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -123.35 -36.25 2.84 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.735 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -137.64 136.92 37.92 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.3 m -98.69 124.98 43.85 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.6 mt -86.19 -40.57 15.47 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.844 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt -154.4 134.11 7.73 Favored Pre-proline 0 CA--C 1.544 0.717 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.805 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -50.5 132.96 36.73 Favored 'Trans proline' 0 C--N 1.373 1.842 0 C-N-CA 123.118 2.545 . . . . 0.0 114.517 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.445 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -111.99 82.37 0.3 Allowed Glycine 0 C--N 1.334 0.462 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 178.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.42 36.71 4.35 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -178.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.0 t -126.12 115.31 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.135 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -86.17 119.92 26.97 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.268 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 26.3 t -128.86 132.74 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.117 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.29 160.75 22.84 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.793 -0.185 . . . . 0.0 110.659 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 79.6 p -103.6 139.58 38.7 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.77 0.319 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -90.32 -175.13 4.4 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.856 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -18.41 49.5 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.798 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -80.1 -4.27 52.16 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -84.65 -37.9 20.48 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.644 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -93.22 -15.13 26.24 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.525 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 11.0 t80 . . . . . 0 CA--C 1.533 0.312 0 CA-C-O 120.961 0.41 . . . . 0.0 110.715 -179.224 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.62 0 CA-C-O 119.584 -0.564 . . . . 0.0 112.612 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -78.56 121.84 5.3 Favored 'Trans proline' 0 C--N 1.362 1.247 0 C-N-CA 122.4 2.066 . . . . 0.0 112.188 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.405 ' HE3' ' NH2' ' A' ' 37' ' ' ARG . 21.0 ptm -139.72 157.65 69.5 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.706 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.68 144.02 66.66 Favored 'Trans proline' 0 C--N 1.373 1.866 0 C-N-CA 122.646 2.231 . . . . 0.0 112.675 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -70.72 139.06 51.05 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.341 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.9 tp -74.26 -44.1 54.27 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.979 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.53 174.56 10.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.525 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.434 ' HB3' ' HD2' ' A' ' 10' ' ' ARG . 23.4 t70 -109.6 -45.92 3.6 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.391 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.434 ' HD2' ' HB3' ' A' ' 9' ' ' ASP . 2.4 mpt_? -123.2 155.55 36.88 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 121.525 0.679 . . . . 0.0 111.708 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.435 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 44.3 pttt -131.86 169.34 16.39 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 114.52 -1.218 . . . . 0.0 109.931 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 mp -126.83 116.15 20.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.754 0.311 . . . . 0.0 110.922 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.406 ' HA ' HD13 ' A' ' 22' ' ' ILE . 37.5 m -114.56 179.09 4.05 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.388 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.426 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -80.76 -41.08 24.05 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.531 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -124.81 171.06 10.44 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.155 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -70.66 -16.34 62.8 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 120.938 0.399 . . . . 0.0 110.437 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -88.27 -19.09 27.25 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.258 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.1 t 56.06 31.57 18.36 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 124.068 0.855 . . . . 0.0 109.818 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.0 t -96.93 -7.68 32.61 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 114.593 -1.185 . . . . 0.0 111.125 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -98.01 146.46 31.53 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.739 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -90.21 119.93 0.8 Allowed 'Trans proline' 0 C--N 1.366 1.481 0 C-N-CA 122.846 2.364 . . . . 0.0 111.859 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 13' ' ' CYS . 50.4 mt -68.75 -66.07 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.817 -179.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.4 p -135.49 138.32 43.01 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -89.81 111.07 21.97 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.122 -0.945 . . . . 0.0 108.628 178.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.36 145.13 42.2 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.271 -0.422 . . . . 0.0 112.045 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.9 t -95.56 141.96 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.627 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.85 131.42 34.52 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.844 0.354 . . . . 0.0 111.297 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -92.16 -6.48 50.63 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.403 ' HA ' ' HB2' ' A' ' 43' ' ' ARG . 2.7 pt20 -166.29 -175.8 3.41 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -89.01 148.65 23.64 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.665 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -151.7 135.87 16.67 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.108 179.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 15.5 tpt -112.46 139.44 48.03 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.97 107.56 23.72 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -77.22 -44.0 0.21 Allowed 'Trans proline' 0 C--N 1.363 1.338 0 C-N-CA 122.489 2.126 . . . . 0.0 112.404 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.19 158.05 16.84 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.596 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.5 p -59.27 -38.72 80.82 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.405 ' NH2' ' HE3' ' A' ' 4' ' ' MET . 7.8 ppt_? -91.73 16.15 11.32 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -178.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -99.71 168.26 10.03 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 177.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.5 tp -124.27 133.66 53.43 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 27.8 m -89.99 118.65 29.71 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.502 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.5 mt -122.25 152.98 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -118.72 156.77 28.73 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.934 0.397 . . . . 0.0 111.047 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.403 ' HB2' ' HA ' ' A' ' 29' ' ' GLN . 20.8 tpt180 -63.59 119.63 10.2 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.449 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.55 1.55 62.09 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 115.765 -0.652 . . . . 0.0 114.203 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -85.75 157.3 20.3 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 117.578 0.689 . . . . 0.0 111.94 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 13.9 t -93.32 126.32 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.671 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.1 t -125.25 123.64 65.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 120.836 0.35 . . . . 0.0 111.362 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -92.64 120.85 33.48 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.887 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.1 t -87.12 124.44 40.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.121 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -103.52 -31.15 10.09 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.813 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.435 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 73.2 p -144.45 149.72 36.48 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -124.9 114.43 19.17 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.333 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 58' ' ' ARG . 27.5 mt -72.98 150.33 42.56 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.898 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -131.83 -42.25 1.02 Allowed 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.47 100.82 0.33 Allowed Glycine 0 C--N 1.336 0.572 0 O-C-N 123.428 0.455 . . . . 0.0 113.025 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 75.5 mtt85 58.84 19.09 6.65 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.579 0.751 . . . . 0.0 112.435 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.31 49.94 0.35 Allowed Glycine 0 C--N 1.336 0.565 0 C-N-CA 121.496 -0.383 . . . . 0.0 112.193 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 38.2 ptt180 -68.8 -20.86 64.34 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 64.0 mt -92.6 12.32 23.52 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.843 0.354 . . . . 0.0 110.658 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -121.83 125.73 47.15 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.063 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 47.5 m0 -113.98 -175.96 2.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.622 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -159.97 150.51 20.78 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.623 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 175.16 -150.1 10.8 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 121.435 -0.412 . . . . 0.0 112.431 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.8 t -140.59 145.85 37.24 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.586 0.231 . . . . 0.0 110.794 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.0 t -85.05 127.22 40.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.067 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 . . . . . 0 CA--C 1.533 0.296 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.663 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.327 0 CA-C-O 121.241 0.543 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.86 -14.13 23.44 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.486 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.46 163.6 32.4 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.4 mt -119.15 128.15 54.0 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.936 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -124.04 171.14 16.3 Favored Glycine 0 C--N 1.335 0.485 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.098 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -106.53 155.23 19.82 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.915 0.388 . . . . 0.0 111.264 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -153.44 154.59 30.76 Favored Pre-proline 0 CA--C 1.541 0.631 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.642 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.428 ' O ' HG12 ' A' ' 84' ' ' ILE . 7.6 Cg_exo -73.16 135.0 22.08 Favored 'Trans proline' 0 C--N 1.369 1.606 0 C-N-CA 122.145 1.897 . . . . 0.0 111.75 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 98.7 p -64.95 -22.78 67.06 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.418 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.7 t -66.23 -21.09 66.29 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 81' ' ' PRO . 20.2 pt -92.63 -6.26 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 120.461 -0.496 . . . . 0.0 112.337 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.7 m -119.7 167.85 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-O 120.979 0.418 . . . . 0.0 112.027 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -140.74 116.95 10.61 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.347 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -71.51 131.46 43.32 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.406 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -121.01 -39.08 2.74 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.681 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -144.79 143.31 30.59 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 57.8 m -103.04 121.61 42.93 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.0 mt -86.42 -32.51 20.85 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.286 -178.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 tpmt? -153.42 131.6 6.43 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.127 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -59.55 124.62 15.86 Favored 'Trans proline' 0 C--N 1.368 1.554 0 C-N-CA 122.932 2.422 . . . . 0.0 113.867 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -98.58 91.65 1.14 Allowed Glycine 0 C--N 1.335 0.498 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 178.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -129.24 25.29 5.5 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.7 t -118.15 121.76 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -93.01 105.22 17.35 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.128 0.49 . . . . 0.0 111.605 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.7 t -105.48 178.82 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.94 165.97 23.45 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 118.107 0.412 . . . . 0.0 110.773 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.5 p -93.75 169.6 10.19 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.615 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -123.86 -174.97 3.11 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.174 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -68.86 -37.77 79.31 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.83 0.452 . . . . 0.0 112.214 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 55.3 m95 -88.71 48.01 1.58 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.089 0.471 . . . . 0.0 111.963 -178.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -127.0 -19.2 4.46 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.918 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -123.51 -16.19 6.87 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 16.2 t80 . . . . . 0 CA--C 1.534 0.357 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.307 -179.575 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.547 0 CA-C-O 119.368 -0.685 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -66.14 149.62 85.54 Favored 'Trans proline' 0 C--N 1.364 1.344 0 C-N-CA 122.459 2.106 . . . . 0.0 112.182 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.694 ' HE1' ' HG2' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -156.12 166.01 17.34 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.502 -178.678 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -50.87 158.74 2.83 Favored 'Trans proline' 0 C--N 1.38 2.214 0 C-N-CA 122.403 2.068 . . . . 0.0 112.696 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -29.55 70.62 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.9 tp 75.44 -34.39 0.25 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.975 0.91 . . . . 0.0 111.829 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -156.85 -166.71 2.17 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 122.938 0.495 . . . . 0.0 110.193 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -129.68 -53.52 1.15 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.53 0.205 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.449 ' HG2' ' HG2' ' A' ' 99' ' ' LYS . 40.0 mtp85 -124.46 163.39 21.93 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.142 -179.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.408 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 34.2 pttt -132.92 167.31 20.47 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.197 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -111.39 119.29 38.33 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.321 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 79.6 m -121.92 171.42 8.93 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.449 ' HB2' ' HG2' ' A' ' 92' ' ' LYS . . . -87.44 -33.16 19.15 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.15 178.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.06 171.16 14.36 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.393 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -68.24 -18.15 64.49 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.145 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.5 mp0 -89.32 -15.92 32.29 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.728 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 90.4 m 57.06 28.08 14.34 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.459 0.647 . . . . 0.0 110.178 -178.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.4 t -96.75 -8.09 32.18 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.355 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -98.82 148.7 34.92 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.748 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -91.65 118.76 0.52 Allowed 'Trans proline' 0 C--N 1.367 1.534 0 C-N-CA 122.92 2.414 . . . . 0.0 111.588 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.3 mp -67.7 -64.88 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.136 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.292 -179.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 p -133.03 144.11 49.84 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.6 ttp -98.58 122.93 42.4 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 114.788 -1.096 . . . . 0.0 109.167 179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.447 ' HB2' ' HB ' ' A' ' 85' ' ' VAL . . . -120.44 158.72 26.61 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.5 t -109.26 135.47 48.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.719 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.0 139.17 38.26 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.907 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -100.35 -22.36 15.1 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.316 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -150.2 178.81 8.64 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -83.25 153.28 24.77 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.304 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -151.37 108.75 3.6 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.433 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.419 ' HA ' HG23 ' A' ' 40' ' ' THR . 3.5 mpp? -92.72 119.5 32.16 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 179.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.401 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . . . -73.4 116.86 55.39 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.055 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 2.8 Cg_exo -76.44 -61.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.363 1.293 0 C-N-CA 122.419 2.079 . . . . 0.0 111.846 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -91.44 165.1 13.56 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.245 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 29.5 t -57.82 -36.15 71.84 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 114.888 -1.051 . . . . 0.0 113.353 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.694 ' HG2' ' HE1' ' A' ' 4' ' ' MET . 0.2 OUTLIER -67.87 -18.45 64.81 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -178.042 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -94.2 163.85 13.28 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 117.888 0.313 . . . . 0.0 111.472 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.6 142.51 50.04 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.793 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.419 HG23 ' HA ' ' A' ' 32' ' ' MET . 35.8 m -89.94 126.2 35.65 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.995 0.426 . . . . 0.0 110.802 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.472 HD11 HG21 ' A' ' 47' ' ' VAL . 71.0 mt -125.36 143.32 39.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.614 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -104.27 161.91 13.65 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.108 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -66.17 115.95 6.72 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.794 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.55 9.85 59.74 Favored Glycine 0 C--N 1.337 0.588 0 C-N-CA 121.034 -0.603 . . . . 0.0 113.575 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -82.29 143.21 31.47 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 117.153 0.476 . . . . 0.0 111.44 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 t -82.88 123.38 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.472 HG21 HD11 ' A' ' 41' ' ' ILE . 9.2 t -123.95 123.03 65.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 120.772 0.32 . . . . 0.0 111.429 -179.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -91.22 125.57 36.03 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.983 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.4 t -90.57 123.69 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.529 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -105.82 -20.5 13.42 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.879 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.408 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 72.6 p -158.08 138.93 13.06 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -116.3 111.11 19.64 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.627 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.7 mt -73.35 145.35 46.01 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 58' ' ' ARG . 55.9 mtmt -133.27 174.51 10.31 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.517 179.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.18 -104.39 3.17 Favored Glycine 0 C--N 1.337 0.589 0 C-N-CA 121.201 -0.523 . . . . 0.0 113.013 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.3 mmm-85 -75.55 -19.74 59.12 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 122.291 0.237 . . . . 0.0 111.234 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -145.54 68.84 0.4 Allowed Glycine 0 C--N 1.334 0.426 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.033 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.476 ' HA ' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -73.01 -5.49 39.16 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.798 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.0 mp -100.62 -6.74 24.8 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.604 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -97.15 128.44 44.06 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.382 0.61 . . . . 0.0 111.782 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 34.3 m0 -115.36 -179.27 3.59 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.162 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.26 156.59 28.05 Favored Glycine 0 C--N 1.333 0.414 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.693 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.62 -145.15 10.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.481 -0.39 . . . . 0.0 112.382 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.4 t -132.37 152.35 51.48 Favored 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 p -105.19 128.32 59.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 121.333 0.587 . . . . 0.0 111.616 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 . . . . . 0 CA--C 1.531 0.227 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.225 179.772 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.246 0 CA-C-O 120.449 0.166 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.46 -38.3 71.3 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.687 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -89.43 151.38 22.05 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.385 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.0 mt -116.01 134.39 55.01 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.422 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -122.71 178.54 16.35 Favored Glycine 0 C--N 1.334 0.431 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.993 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.44 ' HD2' ' HD3' ' A' ' 37' ' ' ARG . 31.9 m-85 -119.18 147.57 44.06 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.778 0.323 . . . . 0.0 110.949 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -147.13 152.64 43.71 Favored Pre-proline 0 CA--C 1.54 0.579 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.975 -178.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -77.19 137.24 16.88 Favored 'Trans proline' 0 C--N 1.366 1.469 0 C-N-CA 122.457 2.105 . . . . 0.0 112.002 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 95.8 p -65.12 -19.69 66.11 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.535 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.3 t -66.24 -22.31 66.32 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.2 pt -95.52 -0.83 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.447 ' HB ' ' HB2' ' A' ' 25' ' ' ALA . 33.2 m -121.93 155.81 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.1 ttt85 -126.53 117.94 23.88 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.793 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -88.29 129.02 35.49 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.227 -179.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -138.35 -23.77 0.98 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.57 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -123.68 140.44 52.99 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.747 -178.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.0 m -122.17 114.53 20.99 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.9 mt -86.51 -13.82 44.87 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.449 ' HG2' ' HB2' ' A' ' 14' ' ' ALA . 1.9 tpmt? -172.55 135.01 0.77 Allowed Pre-proline 0 N--CA 1.477 0.877 0 O-C-N 123.346 0.404 . . . . 0.0 110.792 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.408 ' HD2' ' HG3' ' A' ' 92' ' ' LYS . 72.0 Cg_exo -56.83 127.88 27.65 Favored 'Trans proline' 0 C--N 1.368 1.586 0 C-N-CA 123.105 2.536 . . . . 0.0 113.441 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -101.72 77.79 0.37 Allowed Glycine 0 C--N 1.333 0.415 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.93 27.27 7.77 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -178.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.6 t -126.35 102.79 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -84.36 128.53 34.63 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.647 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 25.5 t -127.75 145.98 34.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.256 179.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.449 ' HG2' ' HG2' ' A' ' 10' ' ' ARG . 55.6 mtpt -80.63 161.11 24.84 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.47 0.176 . . . . 0.0 110.999 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.0 p -101.39 141.83 33.68 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.09 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -95.9 -179.6 4.76 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.334 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -18.61 58.59 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -81.46 -4.05 54.77 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -81.46 -26.54 35.2 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.18 58.03 1.64 Allowed 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.213 0.53 . . . . 0.0 111.935 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 21.2 t80 . . . . . 0 CA--C 1.535 0.403 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.215 179.089 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.386 0 CA-C-O 119.703 -0.498 . . . . 0.0 112.409 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -90.21 60.52 1.72 Allowed 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 123.109 2.539 . . . . 0.0 112.961 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.587 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -81.94 172.9 8.55 Favored Pre-proline 0 CA--C 1.562 1.431 0 CA-C-O 118.803 -0.618 . . . . 0.0 109.545 179.349 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.587 ' HD2' ' HB2' ' A' ' 4' ' ' MET . 17.7 Cg_endo -59.74 157.29 33.44 Favored 'Trans proline' 0 C--N 1.377 2.034 0 C-N-CA 122.889 2.393 . . . . 0.0 115.181 -177.384 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -90.31 -179.88 5.73 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.842 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -109.73 -45.74 3.61 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.007 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -135.92 -171.44 2.86 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.2 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 42.1 p-10 -124.36 -26.19 3.97 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.442 ' HE ' ' HE2' ' A' ' 99' ' ' LYS . 74.5 mtt85 -135.71 156.89 48.12 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.962 0.411 . . . . 0.0 111.191 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 38.0 pttt -137.41 177.39 7.9 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.61 -178.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.42 ' O ' ' HA ' ' A' ' 51' ' ' SER . 3.9 mm? -118.7 113.25 20.88 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.36 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 85.1 m -117.17 176.23 5.23 Favored 'General case' 0 C--O 1.232 0.18 0 O-C-N 123.614 0.571 . . . . 0.0 110.265 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.432 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -83.43 -23.15 32.42 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.286 178.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -150.31 172.24 15.69 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.333 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.416 ' HA ' HG22 ' A' ' 98' ' ' VAL . 19.4 pt20 -66.12 -17.87 64.99 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -178.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -91.8 -15.46 28.23 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.9 m 56.63 28.68 14.41 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.461 0.648 . . . . 0.0 110.127 -178.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.2 t -94.77 -7.96 38.92 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.411 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -100.76 148.05 34.49 Favored Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.443 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -93.5 130.19 0.74 Allowed 'Trans proline' 0 C--N 1.365 1.401 0 C-N-CA 122.852 2.368 . . . . 0.0 112.351 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.3 mt -74.49 -62.56 1.27 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.163 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.144 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.9 t -139.97 146.03 38.62 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.053 0.454 . . . . 0.0 111.957 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -93.64 126.12 38.64 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.41 ' HB2' ' HB ' ' A' ' 85' ' ' VAL . . . -127.34 150.68 49.49 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -178.057 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.8 t -102.52 135.28 40.44 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.153 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.99 130.31 37.31 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -90.44 -27.26 19.39 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -147.87 176.96 9.72 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -79.01 150.97 31.79 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.341 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -151.43 136.05 17.08 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.415 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.0 mmm -115.39 137.13 52.37 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.235 0.334 . . . . 0.0 110.68 179.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.401 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . . . -94.51 118.54 66.93 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.342 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 4.7 Cg_exo -75.15 -67.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.363 1.325 0 C-N-CA 122.494 2.13 . . . . 0.0 111.489 179.17 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.0 170.5 9.61 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.66 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.9 t -64.73 -9.94 23.81 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -178.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.4 mtm105 -80.05 -25.91 39.94 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -95.93 164.49 12.7 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.937 0.399 . . . . 0.0 111.931 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.1 tp -120.34 138.72 53.57 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.741 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 41.3 m -88.29 121.82 31.12 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.9 mt -127.04 127.12 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.986 -178.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -88.96 159.26 17.73 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 177.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -63.14 117.14 6.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.694 -178.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.37 3.41 53.64 Favored Glycine 0 C--N 1.342 0.878 0 C-N-CA 120.965 -0.636 . . . . 0.0 114.312 179.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -76.34 145.28 39.61 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 117.842 0.821 . . . . 0.0 111.783 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.8 t -88.23 103.08 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.8 t -110.28 126.94 67.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.852 0.358 . . . . 0.0 111.546 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -96.39 127.89 42.81 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.401 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.7 t -87.42 136.56 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.247 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -118.15 -31.17 5.1 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 112.126 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.427 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 37.4 p -148.32 147.68 29.57 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.323 0.861 . . . . 0.0 113.323 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -121.95 121.47 37.16 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.24 -0.891 . . . . 0.0 108.844 178.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.7 mt -66.18 150.29 48.99 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -89.01 -97.26 0.09 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.768 -179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.57 154.5 45.69 Favored Glycine 0 C--N 1.344 0.985 0 C-N-CA 121.232 -0.508 . . . . 0.0 112.689 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? 74.9 -58.26 0.58 Allowed 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.565 1.146 . . . . 0.0 111.714 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.0 -55.55 7.9 Favored Glycine 0 C--N 1.338 0.643 0 CA-C-O 119.755 -0.47 . . . . 0.0 112.607 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 58.57 -77.37 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.277 1.031 . . . . 0.0 112.257 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.1 pp -86.57 -0.26 55.78 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.286 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -88.34 115.31 25.76 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.168 0.509 . . . . 0.0 110.631 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 42.2 m0 -107.79 -171.32 1.85 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.126 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -169.55 165.09 38.55 Favored Glycine 0 C--N 1.336 0.529 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.776 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 164.65 -144.89 9.75 Favored Glycine 0 C--N 1.337 0.617 0 N-CA-C 112.136 -0.386 . . . . 0.0 112.136 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 94.1 p -134.9 155.18 51.15 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.9 p -107.47 132.9 53.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-O 121.339 0.59 . . . . 0.0 111.977 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 CA--C 1.531 0.243 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.136 179.52 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.264 0 N-CA-C 111.412 0.152 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.32 -35.55 76.07 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.684 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -95.07 151.92 18.78 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.459 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 69.6 mt -115.35 125.1 52.8 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.214 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -112.01 -173.8 19.44 Favored Glycine 0 C--N 1.333 0.399 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.747 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -129.54 148.22 51.42 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.807 0.337 . . . . 0.0 110.72 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -151.05 154.86 34.64 Favored Pre-proline 0 CA--C 1.541 0.596 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.041 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -74.33 137.05 22.8 Favored 'Trans proline' 0 C--N 1.368 1.56 0 C-N-CA 122.315 2.01 . . . . 0.0 111.554 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.1 p -63.92 -20.85 66.16 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.414 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.2 p -65.9 -25.11 67.01 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.0 pt -92.69 -1.34 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.41 ' HB ' ' HB2' ' A' ' 25' ' ' ALA . 17.0 m -123.86 145.63 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 121.024 0.44 . . . . 0.0 112.051 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -117.18 108.16 15.33 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.964 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -80.92 103.23 10.61 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.456 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -94.22 -28.39 15.65 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.307 -178.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -144.8 129.8 18.42 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.5 m -90.77 124.62 35.27 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.6 mt -85.68 -38.94 17.78 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.875 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -155.43 135.07 8.04 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -53.48 132.82 50.62 Favored 'Trans proline' 0 C--N 1.371 1.72 0 C-N-CA 123.38 2.72 . . . . 0.0 114.508 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -112.78 76.72 0.23 Allowed Glycine 0 C--N 1.335 0.496 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 178.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -122.41 31.26 6.19 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.9 t -119.94 117.34 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.473 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -79.87 119.02 22.17 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.965 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' A' ' 16' ' ' GLN . 4.6 t -121.45 129.41 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.442 ' HE2' ' HE ' ' A' ' 10' ' ' ARG . 94.1 mttt -79.17 159.95 27.18 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.187 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 62.5 p -98.57 156.18 16.92 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.627 0.251 . . . . 0.0 110.795 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -111.52 -172.31 2.01 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.016 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.26 -42.35 65.71 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.466 -179.427 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -86.75 47.58 1.51 Allowed 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.702 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.28 -31.45 3.05 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -114.32 -0.32 13.88 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.272 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 21.5 t80 . . . . . 0 C--O 1.234 0.289 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.271 179.77 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.778 0.323 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 121.56 169.81 13.74 Favored Glycine 0 C--N 1.336 0.549 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.397 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -85.64 122.14 2.3 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.746 2.298 . . . . 0.0 113.132 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 34.7 mtm -118.28 160.06 40.95 Favored Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.645 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -61.59 125.3 16.43 Favored 'Trans proline' 0 C--N 1.37 1.684 0 C-N-CA 121.765 1.644 . . . . 0.0 111.35 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -51.67 136.48 27.0 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.182 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.425 ' H ' HD22 ' A' ' 7' ' ' LEU . 3.8 mm? -69.34 -31.38 69.79 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.588 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -152.05 -175.79 5.39 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.185 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -114.26 -45.81 3.02 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.391 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -125.99 156.57 39.63 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.124 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.3 pttt -134.64 177.76 7.53 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.49 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.5 mt -121.03 138.72 54.04 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.207 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 78.3 m -140.46 172.83 12.17 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.491 0.495 . . . . 0.0 110.7 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.507 ' HB2' ' HE2' ' A' ' 92' ' ' LYS . . . -79.04 -31.9 44.75 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.885 0.374 . . . . 0.0 110.153 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -137.12 169.89 17.02 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.903 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -69.33 -12.64 61.84 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.393 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -90.09 -19.25 24.55 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.539 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.7 m 57.78 28.72 16.34 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 121.481 0.658 . . . . 0.0 110.23 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.6 t -94.65 -8.23 38.55 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.258 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -102.31 151.4 38.13 Favored Pre-proline 0 CA--C 1.536 0.427 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.175 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -91.33 120.43 0.63 Allowed 'Trans proline' 0 C--N 1.368 1.554 0 C-N-CA 122.876 2.384 . . . . 0.0 111.928 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.8 mt -63.93 -62.12 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.026 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.0 m -141.51 145.26 34.95 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.229 0.537 . . . . 0.0 112.306 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -88.71 121.56 31.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 114.9 -1.045 . . . . 0.0 108.676 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -122.07 150.86 41.54 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -178.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.4 t -104.0 141.94 18.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.269 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.15 132.62 35.08 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.221 0.326 . . . . 0.0 111.628 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.2 mp -102.73 -16.51 15.96 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -151.77 -179.86 7.81 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -88.0 152.44 22.04 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.018 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -151.35 134.74 16.12 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.142 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 64.1 mtt -109.39 133.44 53.06 Favored 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.27 0.356 . . . . 0.0 110.379 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.34 110.14 31.4 Favored Pre-proline 0 CA--C 1.537 0.47 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -78.46 -56.43 0.04 OUTLIER 'Trans proline' 0 C--N 1.364 1.37 0 C-N-CA 122.679 2.253 . . . . 0.0 112.288 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -91.26 167.06 12.59 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.486 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.1 t -58.28 -40.35 81.69 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.974 -1.012 . . . . 0.0 113.232 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.408 ' HB3' HH11 ' A' ' 37' ' ' ARG . 0.0 OUTLIER -79.78 2.71 21.93 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -178.163 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -100.9 155.84 17.72 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 117.744 0.247 . . . . 0.0 110.902 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.481 HD12 HG23 ' A' ' 65' ' ' VAL . 5.6 mt -117.57 140.62 49.38 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.6 m -89.59 122.16 32.47 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.47 HD11 HD12 ' A' ' 84' ' ' ILE . 76.9 mt -128.62 122.82 58.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -89.26 160.76 16.76 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.222 178.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 70.2 ttt-85 -63.97 117.23 6.73 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.348 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.45 0.16 46.73 Favored Glycine 0 C--N 1.339 0.696 0 C-N-CA 120.855 -0.688 . . . . 0.0 114.194 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -75.72 151.95 37.56 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 117.759 0.779 . . . . 0.0 111.867 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.1 t -90.66 115.08 29.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.996 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.458 HG11 HG21 ' A' ' 65' ' ' VAL . 17.9 t -124.05 124.9 69.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-O 120.891 0.377 . . . . 0.0 111.824 -178.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -94.61 127.62 40.69 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.265 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.9 t -89.1 121.42 39.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.161 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -100.57 -34.44 9.9 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.764 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.7 p -145.49 145.24 30.99 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -117.78 117.97 30.78 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.398 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.2 mt -79.35 141.54 36.85 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.047 0.217 . . . . 0.0 111.433 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 58' ' ' ARG . 9.1 mtpm? -133.88 175.68 9.25 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.47 -98.5 2.45 Favored Glycine 0 C--N 1.335 0.528 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.964 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 73.0 mmt-85 -79.35 -21.17 46.17 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 122.236 0.215 . . . . 0.0 111.456 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -144.43 67.66 0.43 Allowed Glycine 0 C--N 1.334 0.459 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.234 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.409 ' HA ' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -72.41 -7.65 50.89 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.809 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.2 mp -96.32 -7.64 34.77 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.812 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -102.07 133.52 46.77 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.401 0.619 . . . . 0.0 111.88 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 31.7 m0 -118.8 -175.91 2.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.731 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -160.58 159.87 31.31 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 121.188 -0.529 . . . . 0.0 112.305 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.38 -153.04 23.35 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 121.283 -0.484 . . . . 0.0 112.397 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.6 t -127.06 159.88 32.84 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 122.258 0.223 . . . . 0.0 110.586 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.481 HG23 HD12 ' A' ' 39' ' ' LEU . 43.9 t -111.89 122.47 66.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.264 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -93.77 134.07 36.49 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.416 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 141.05 -52.82 0.67 Allowed Glycine 0 C--N 1.334 0.438 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.437 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -107.46 117.85 35.17 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.553 0.216 . . . . 0.0 110.648 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -121.47 -70.09 0.8 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 13.4 p90 35.25 44.98 0.18 Allowed 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.697 1.199 . . . . 0.0 113.643 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 139.68 -81.83 0.25 Allowed Glycine 0 C--N 1.336 0.532 0 CA-C-N 115.883 -0.598 . . . . 0.0 112.461 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -131.7 -91.29 0.41 Allowed 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 119.154 -0.451 . . . . 0.0 111.467 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 tm? 64.93 -78.27 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.043 0.937 . . . . 0.0 111.62 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.61 78.14 5.07 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 120.81 0.338 . . . . 0.0 111.668 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -165.67 -17.26 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.553 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -110.45 -8.12 14.7 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.5 mt 60.1 176.47 0.09 Allowed 'General case' 0 N--CA 1.478 0.953 0 O-C-N 124.058 0.849 . . . . 0.0 112.713 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -169.51 -174.94 38.31 Favored Glycine 0 C--N 1.336 0.551 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.897 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -126.74 151.94 47.52 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.945 0.372 . . . . 0.0 111.196 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -154.97 150.84 21.89 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.918 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.427 ' O ' HG12 ' A' ' 84' ' ' ILE . 9.2 Cg_exo -72.73 142.4 35.65 Favored 'Trans proline' 0 C--N 1.367 1.51 0 C-N-CA 122.505 2.136 . . . . 0.0 111.983 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 97.2 p -64.33 -26.36 68.44 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.646 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.3 p -66.15 -16.18 63.75 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.484 HG13 HG11 ' A' ' 85' ' ' VAL . 22.6 pt -96.69 -4.77 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.484 HG11 HG13 ' A' ' 84' ' ' ILE . 34.0 m -127.16 163.92 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-O 121.05 0.452 . . . . 0.0 112.055 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.5 ttt180 -135.83 116.06 13.48 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.891 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -89.25 123.92 33.91 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.038 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -126.47 -25.96 3.37 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.613 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -121.83 127.01 50.08 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.409 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.7 m -108.8 118.93 38.06 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.2 mt -85.49 -23.74 27.65 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -177.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.507 ' HE2' ' HB2' ' A' ' 14' ' ' ALA . 11.5 mtpt -166.08 142.31 4.17 Favored Pre-proline 0 N--CA 1.476 0.834 0 O-C-N 123.737 0.648 . . . . 0.0 111.411 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -61.5 130.61 32.41 Favored 'Trans proline' 0 C--N 1.37 1.708 0 C-N-CA 122.97 2.447 . . . . 0.0 113.548 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -98.6 77.82 0.56 Allowed Glycine 0 C--N 1.333 0.39 0 N-CA-C 110.466 -1.054 . . . . 0.0 110.466 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.7 pttt -122.41 33.47 5.44 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -177.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 53.1 t -121.73 110.53 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -81.86 115.12 20.91 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.325 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 25.1 t -123.35 122.97 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.032 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.53 166.87 20.76 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.081 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.7 p -97.52 162.94 13.07 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -121.72 -167.77 1.58 Allowed 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.841 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -42.6 88.12 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.444 0.698 . . . . 0.0 112.698 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -72.01 -16.12 62.06 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -79.15 147.98 32.5 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 60.07 41.39 17.28 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.705 0.628 . . . . 0.0 110.566 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -149.44 114.51 5.43 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.093 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 60.1 m -111.17 143.3 42.14 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.734 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.755 179.665 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.731 0.3 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 166.88 168.89 29.75 Favored Glycine 0 C--N 1.332 0.328 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.423 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -82.1 101.97 1.18 Allowed 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 122.412 2.075 . . . . 0.0 112.248 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -113.03 159.92 32.88 Favored Pre-proline 0 CA--C 1.541 0.627 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.232 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -49.26 151.19 6.73 Favored 'Trans proline' 0 C--N 1.375 1.956 0 C-N-CA 123.218 2.612 . . . . 0.0 113.913 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -69.76 169.65 12.53 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.776 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.3 tp -118.76 -32.14 4.61 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.475 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -150.36 170.54 18.8 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.42 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -109.31 -41.56 4.61 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.94 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -134.78 162.13 33.24 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.638 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 pttt -137.97 170.09 16.64 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.19 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.479 ' HG ' ' HZ3' ' A' ' 54' ' ' LYS . 91.0 mt -118.31 111.97 19.44 Favored 'General case' 0 CA--C 1.523 -0.086 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.388 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 64.7 m -108.8 178.14 4.56 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.809 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.48 ' HB1' ' HG2' ' A' ' 92' ' ' LYS . . . -88.68 -22.27 23.49 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.18 178.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -146.86 172.44 13.66 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.679 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -65.84 -26.33 67.61 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.972 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.11 -11.77 43.01 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 80.9 m 56.39 28.94 14.31 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.345 0.593 . . . . 0.0 110.119 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.4 t -97.43 0.57 47.94 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.683 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -105.54 146.86 33.63 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.711 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.427 ' HB2' HD13 ' A' ' 91' ' ' LEU . 36.0 Cg_endo -90.26 114.08 0.5 Allowed 'Trans proline' 0 C--N 1.365 1.435 0 C-N-CA 122.788 2.325 . . . . 0.0 111.613 178.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.8 mt -62.07 -59.53 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.4 t -136.76 171.35 14.62 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.239 0.542 . . . . 0.0 111.691 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 19.9 ttp -118.48 100.86 7.73 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.09 143.57 29.21 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.8 t -98.67 139.32 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.316 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.04 132.57 35.12 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.172 0.295 . . . . 0.0 111.261 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -97.25 -19.55 18.5 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -148.91 -177.3 5.73 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -90.49 148.28 22.84 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.889 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -151.41 134.95 16.22 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.791 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.1 tpp -110.79 135.16 51.77 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.51 114.99 47.96 Favored Pre-proline 0 CA--C 1.537 0.459 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -77.43 -58.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.365 1.438 0 C-N-CA 122.473 2.116 . . . . 0.0 112.366 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -91.54 169.09 11.04 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.127 0.489 . . . . 0.0 112.015 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.1 t -63.25 -24.82 68.04 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -96.86 14.63 24.63 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -109.65 162.34 14.52 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.243 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.0 mt -113.92 145.33 41.66 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 37.0 m -97.47 112.12 24.1 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 177.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.495 HD11 HD13 ' A' ' 84' ' ' ILE . 55.0 mt -113.88 147.83 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.6 -177.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -112.29 154.92 24.92 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.944 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -64.44 117.28 7.08 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.502 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.32 -2.64 50.49 Favored Glycine 0 C--N 1.339 0.709 0 C-N-CA 120.921 -0.657 . . . . 0.0 114.243 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -80.23 155.46 27.34 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 117.543 0.672 . . . . 0.0 111.631 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.1 t -95.08 117.45 38.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.035 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.511 HG11 HG21 ' A' ' 65' ' ' VAL . 21.5 t -114.9 124.29 71.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.092 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -91.52 121.49 33.26 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.444 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.3 t -88.22 122.76 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.074 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -101.61 -26.06 13.66 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 77.3 p -153.06 160.41 42.94 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -126.64 112.92 16.04 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.5 mt -69.79 153.3 43.53 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -178.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.479 ' HZ3' ' HG ' ' A' ' 12' ' ' LEU . 36.5 mtmm -133.4 154.93 50.34 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.534 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.74 110.57 0.14 Allowed Glycine 0 C--N 1.338 0.644 0 C-N-CA 121.311 -0.471 . . . . 0.0 112.926 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.0 mtp-105 71.17 -64.66 0.37 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.728 1.211 . . . . 0.0 111.59 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -103.96 44.97 1.38 Allowed Glycine 0 N--CA 1.451 -0.314 0 N-CA-C 111.684 -0.566 . . . . 0.0 111.684 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.8 ptt-85 -69.41 -11.27 60.68 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.3 mt -91.49 11.35 24.33 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.667 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -115.65 129.2 56.41 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.094 0.473 . . . . 0.0 111.313 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 38.0 m0 -111.16 138.46 47.57 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.802 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -102.24 159.6 17.86 Favored Glycine 0 C--N 1.33 0.202 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.152 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 159.44 -157.11 28.26 Favored Glycine 0 C--N 1.334 0.447 0 C-N-CA 121.375 -0.441 . . . . 0.0 112.48 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.4 p -130.06 157.67 41.74 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 122.179 0.192 . . . . 0.0 110.565 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.511 HG21 HG11 ' A' ' 47' ' ' VAL . 38.6 t -110.01 122.31 64.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.96 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -81.28 132.67 35.35 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.432 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 157.16 -38.62 0.56 Allowed Glycine 0 C--N 1.333 0.406 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.209 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -120.9 102.02 8.08 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.722 0.296 . . . . 0.0 110.782 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -119.54 74.84 1.03 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.366 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -147.23 12.72 1.07 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.632 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 126.98 24.09 1.36 Allowed Glycine 0 C--N 1.34 0.758 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.515 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 48.0 p-10 -155.32 173.54 16.49 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.848 0.324 . . . . 0.0 111.568 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.2 mp 62.31 -86.02 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.843 0 O-C-N 124.15 0.906 . . . . 0.0 112.18 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.61 77.89 9.74 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.041 0.448 . . . . 0.0 111.064 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.89 -40.15 0.1 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.192 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.71 8.57 5.35 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.981 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 57.6 mt 61.73 169.33 0.11 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.826 0.85 . . . . 0.0 113.245 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -162.91 -175.39 33.89 Favored Glycine 0 C--N 1.336 0.555 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.747 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -123.67 154.2 39.71 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.974 0.387 . . . . 0.0 111.299 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -154.47 150.38 21.88 Favored Pre-proline 0 CA--C 1.542 0.647 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.904 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.83 132.47 17.13 Favored 'Trans proline' 0 C--N 1.365 1.4 0 C-N-CA 122.217 1.944 . . . . 0.0 111.494 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 90.0 p -64.97 -18.7 65.5 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.596 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.6 p -65.94 -23.1 66.54 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.495 HD13 HD11 ' A' ' 41' ' ' ILE . 32.8 pt -95.94 -2.44 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 26.7 m -125.24 164.66 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 120.628 0.251 . . . . 0.0 111.586 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 64.1 ttt-85 -136.05 113.08 10.39 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.226 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -73.02 137.31 45.3 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.179 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -147.95 -41.92 0.17 Allowed 'General case' 0 C--O 1.234 0.25 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 -115.76 107.8 15.52 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.4 m -81.82 113.69 19.94 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.721 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.427 HD13 ' HB2' ' A' ' 21' ' ' PRO . 12.6 mt -86.1 -12.97 48.65 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.593 -178.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.48 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -171.28 130.9 0.77 Allowed Pre-proline 0 CA--C 1.543 0.683 0 O-C-N 123.745 0.653 . . . . 0.0 110.459 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -53.76 130.39 38.78 Favored 'Trans proline' 0 C--N 1.369 1.65 0 C-N-CA 122.549 2.166 . . . . 0.0 113.09 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -108.65 94.31 0.84 Allowed Glycine 0 C--N 1.335 0.523 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.8 ptpp? -142.97 33.3 1.37 Allowed 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.3 t -116.64 132.32 66.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.912 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -98.91 117.83 34.29 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.87 0.367 . . . . 0.0 111.537 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 39.0 t -126.66 128.39 71.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.063 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -78.11 161.42 27.41 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.615 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.8 p -81.07 172.01 14.24 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.639 0.256 . . . . 0.0 111.207 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.59 -177.8 3.24 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.517 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -74.6 -40.37 61.61 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.409 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 62.5 m95 -76.71 -2.83 34.92 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.467 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -79.45 149.91 31.42 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 58.82 25.8 13.99 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.615 0.766 . . . . 0.0 111.102 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -137.39 110.03 7.53 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.423 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 53.9 t -111.39 114.49 27.66 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.333 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.641 -179.475 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.655 0.264 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 114.49 177.86 19.0 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.703 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.529 ' HD3' HE21 ' A' ' 108' ' ' GLN . 9.0 Cg_endo -80.85 105.61 1.7 Allowed 'Trans proline' 0 C--N 1.363 1.306 0 C-N-CA 122.544 2.163 . . . . 0.0 111.933 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 42.8 mtm -117.11 166.07 13.93 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.463 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.72 154.0 22.29 Favored 'Trans proline' 0 C--N 1.378 2.109 0 C-N-CA 122.464 2.109 . . . . 0.0 112.554 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -74.28 171.93 12.75 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.476 0.655 . . . . 0.0 112.117 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.455 ' HB3' ' HZ ' ' A' ' 105' ' ' PHE . 4.8 tp -127.79 -31.89 2.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.22 -178.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.23 -176.38 4.59 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.621 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -124.74 -42.38 2.07 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 65.3 mtt85 -134.87 157.51 46.63 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.655 0.264 . . . . 0.0 111.193 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -138.02 165.37 26.74 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.641 -179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.455 ' HG ' ' HZ2' ' A' ' 54' ' ' LYS . 87.5 mt -111.77 110.13 20.33 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.759 178.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 62.0 m -106.49 175.89 5.35 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 123.567 0.542 . . . . 0.0 111.045 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.435 ' HB1' ' HG2' ' A' ' 92' ' ' LYS . . . -89.8 -26.42 20.58 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.414 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -136.55 169.99 16.79 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.19 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -67.91 -22.14 65.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.178 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -89.36 -13.96 36.69 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.503 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.1 m 58.72 26.06 14.15 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.617 0.722 . . . . 0.0 109.964 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.3 t -101.39 0.09 36.37 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 114.792 -1.094 . . . . 0.0 111.035 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -101.79 145.94 31.37 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.629 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -91.01 117.38 0.53 Allowed 'Trans proline' 0 C--N 1.366 1.476 0 C-N-CA 122.871 2.38 . . . . 0.0 111.717 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.4 mt -63.84 -64.73 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.245 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.0 m -139.46 142.48 37.37 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.041 0.448 . . . . 0.0 111.809 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -89.88 113.59 25.22 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.275 -0.875 . . . . 0.0 108.891 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.4 ' HB2' ' HB ' ' A' ' 85' ' ' VAL . . . -112.34 146.23 38.65 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.118 -178.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.7 t -97.47 142.37 14.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.38 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.6 133.81 34.41 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.323 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -97.45 -16.88 19.96 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -148.94 178.21 8.89 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -86.83 149.82 24.56 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.174 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -151.37 124.58 8.77 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.536 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.415 ' HA ' HG21 ' A' ' 40' ' ' THR . 26.4 mmt -106.53 130.43 54.31 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.504 ' H ' ' HG1' ' A' ' 40' ' ' THR . . . -112.78 130.33 23.58 Favored Pre-proline 0 C--O 1.234 0.289 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -84.58 -61.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.362 1.285 0 C-N-CA 122.989 2.46 . . . . 0.0 112.618 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -92.12 170.97 9.41 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 33.6 t -66.24 -15.14 62.95 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.972 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -69.84 -21.07 63.4 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.658 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -121.9 156.86 32.45 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.591 -0.444 . . . . 0.0 111.479 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.9 mt -108.91 141.43 40.98 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.617 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.504 ' HG1' ' H ' ' A' ' 33' ' ' ALA . 31.9 m -89.18 108.96 19.9 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.1 mt -114.45 147.91 17.6 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.151 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -111.18 156.44 21.42 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.154 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -65.67 115.23 5.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.625 -178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.34 -0.57 53.81 Favored Glycine 0 C--N 1.339 0.722 0 C-N-CA 121.009 -0.615 . . . . 0.0 113.994 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -80.78 164.31 22.82 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 117.587 0.694 . . . . 0.0 111.788 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.3 t -98.07 116.18 40.09 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.117 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.533 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.7 t -112.42 128.15 69.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.632 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -97.63 120.41 37.96 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.762 -0.199 . . . . 0.0 110.514 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.0 t -86.18 120.91 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -99.94 -32.33 11.03 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 77.6 p -149.96 160.52 43.54 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -125.81 108.87 11.89 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.496 -0.775 . . . . 0.0 108.91 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 58' ' ' ARG . 52.3 mt -67.62 155.74 38.46 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -178.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.455 ' HZ2' ' HG ' ' A' ' 12' ' ' LEU . 36.6 mtmm -132.81 -172.87 3.03 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.576 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.12 -104.21 2.94 Favored Glycine 0 C--N 1.339 0.749 0 C-N-CA 121.32 -0.467 . . . . 0.0 112.476 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.8 ptt-85 -103.04 -3.56 25.8 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.583 0.23 . . . . 0.0 110.802 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -133.6 53.65 0.79 Allowed Glycine 0 C--N 1.337 0.611 0 C-N-CA 121.186 -0.531 . . . . 0.0 112.512 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.433 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -72.49 -13.42 61.42 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 179.69 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -95.23 5.2 52.41 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.715 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -107.48 120.35 41.93 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.048 0.451 . . . . 0.0 110.967 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 36.8 m0 -110.99 127.91 55.68 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.99 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.93 160.84 24.33 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.696 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 162.26 -153.52 24.2 Favored Glycine 0 C--N 1.334 0.423 0 N-CA-C 112.237 -0.345 . . . . 0.0 112.237 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.4 m -149.49 130.87 14.7 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.3 p -90.64 136.02 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.704 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.417 HE21 ' HB3' ' A' ' 66' ' ' GLN . 3.3 mt-30 -85.24 -174.78 5.41 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.339 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.34 -60.55 0.32 Allowed Glycine 0 C--N 1.339 0.727 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -114.23 -2.26 13.41 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -103.17 99.27 9.12 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.13 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.404 ' HE1' ' HB2' ' A' ' 72' ' ' ASP . 1.5 p90 -82.53 -129.38 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.589 -179.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.86 -44.92 6.56 Favored Glycine 0 C--N 1.345 1.075 0 CA-C-N 118.948 0.794 . . . . 0.0 113.692 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.404 ' HB2' ' HE1' ' A' ' 70' ' ' TYR . 1.8 m-20 -73.21 -24.17 60.48 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.509 HD23 HH11 ' A' ' 76' ' ' ARG . 3.5 mt -96.44 98.77 10.51 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.927 0.394 . . . . 0.0 111.955 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 175.08 -14.69 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.074 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.87 -38.62 86.65 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.698 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.509 HH11 HD23 ' A' ' 73' ' ' LEU . 4.7 ptp85 -78.57 90.45 4.53 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.555 0.693 . . . . 0.0 109.986 178.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.98 125.86 27.65 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.239 -178.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -119.44 167.0 13.28 Favored Glycine 0 C--N 1.337 0.588 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.81 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -115.41 156.16 26.08 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.954 0.377 . . . . 0.0 111.065 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -152.14 153.58 31.32 Favored Pre-proline 0 CA--C 1.541 0.624 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.821 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -72.08 132.61 19.95 Favored 'Trans proline' 0 C--N 1.367 1.541 0 C-N-CA 122.369 2.046 . . . . 0.0 112.192 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 99.6 p -65.53 -22.07 66.68 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.333 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.8 t -66.25 -21.18 66.28 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.0 pt -99.35 0.64 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.4 ' HB ' ' HB2' ' A' ' 25' ' ' ALA . 29.1 m -119.6 156.1 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 120.801 0.334 . . . . 0.0 111.519 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -134.79 108.7 8.1 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.366 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -70.83 119.2 14.61 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.786 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -107.28 -39.5 5.67 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.328 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -137.87 144.06 41.2 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.722 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.4 m -102.92 120.68 41.05 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.0 mt -86.52 -27.1 24.21 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.753 -178.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.435 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -159.57 133.39 5.04 Favored Pre-proline 0 CA--C 1.543 0.703 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.585 -179.566 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -55.31 127.53 26.64 Favored 'Trans proline' 0 C--N 1.369 1.644 0 C-N-CA 123.164 2.576 . . . . 0.0 113.643 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.42 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -103.31 81.07 0.35 Allowed Glycine 0 C--N 1.335 0.473 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.586 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -128.71 30.67 5.08 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.2 t -115.01 135.63 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.012 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -106.89 111.74 24.38 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.889 0.376 . . . . 0.0 111.093 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 33.7 t -125.49 129.76 72.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.16 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -78.9 162.94 25.68 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.59 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 75.3 p -87.52 143.7 27.08 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.072 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -101.57 -122.03 0.17 Allowed 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.08 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.01 -15.86 8.17 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 118.455 0.57 . . . . 0.0 111.459 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -85.27 -2.61 58.25 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.16 0.288 . . . . 0.0 111.592 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.82 -36.45 56.87 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.709 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.455 ' HZ ' ' HB3' ' A' ' 7' ' ' LEU . 65.6 m-85 -121.97 52.53 1.27 Allowed 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.659 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -150.15 104.06 3.23 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.272 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 58.4 m -117.34 91.5 3.59 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.453 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.529 HE21 ' HD3' ' A' ' 3' ' ' PRO . 29.6 mt-30 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.974 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 116.64 174.79 17.47 Favored Glycine 0 CA--C 1.523 0.558 0 CA-C-O 119.452 -0.638 . . . . 0.0 112.241 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -80.0 121.72 4.57 Favored 'Trans proline' 0 C--N 1.359 1.095 0 C-N-CA 122.416 2.077 . . . . 0.0 112.606 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.74 178.53 1.62 Allowed Pre-proline 0 CA--C 1.556 1.208 0 CA-C-O 118.052 -0.975 . . . . 0.0 108.876 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -47.12 146.57 6.23 Favored 'Trans proline' 0 C--N 1.383 2.376 0 C-N-CA 122.738 2.292 . . . . 0.0 114.144 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -90.29 -5.07 56.71 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.056 -0.974 . . . . 0.0 112.191 -179.267 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 73.09 -37.96 0.4 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.043 0.937 . . . . 0.0 112.641 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.89 -169.75 3.45 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.246 0.218 . . . . 0.0 111.244 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -124.11 -41.17 2.22 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.433 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.442 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 10.4 mpt_? -123.75 151.27 43.42 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.776 0.322 . . . . 0.0 111.047 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -127.9 173.05 10.32 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.77 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.6 mt -123.28 120.5 33.28 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.981 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 74.4 m -122.67 176.05 6.17 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.738 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.439 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -80.44 -41.66 24.08 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.965 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -124.63 172.48 9.22 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.57 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -68.49 -20.95 64.63 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.62 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -88.76 -17.51 29.68 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.678 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.8 t 56.9 29.89 17.01 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.781 0.8 . . . . 0.0 109.851 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.3 t -94.19 -6.76 44.02 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 114.625 -1.171 . . . . 0.0 110.899 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -100.01 147.51 33.57 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.6 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -91.43 123.32 0.77 Allowed 'Trans proline' 0 C--N 1.367 1.504 0 C-N-CA 122.883 2.389 . . . . 0.0 111.955 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.2 mt -68.21 -64.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.245 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.6 t -138.2 137.37 37.51 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.124 0.488 . . . . 0.0 112.223 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.4 tmm? -89.56 117.95 28.84 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.22 150.65 39.07 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -177.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.9 t -103.66 133.02 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.312 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.8 134.34 47.3 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 74.9 mt -101.05 -15.7 17.35 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.463 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -152.24 -177.23 6.06 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -92.4 151.82 20.05 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.491 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -151.68 135.35 16.28 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.499 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 92.0 mtp -107.17 132.88 52.54 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.442 0.464 . . . . 0.0 110.425 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.44 116.29 66.24 Favored Pre-proline 0 CA--C 1.537 0.456 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.43 -60.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.365 1.408 0 C-N-CA 122.793 2.329 . . . . 0.0 111.829 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -90.71 165.38 13.72 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.182 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.465 ' HB2' ' HB2' ' A' ' 107' ' ' CYS . 39.5 m -62.89 -26.72 68.92 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.614 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -67.41 -22.53 65.53 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -99.5 160.22 14.45 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.9 mt -114.59 141.66 47.46 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.949 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 93.8 m -89.92 116.16 27.77 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.5 mt -121.61 137.63 54.61 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.208 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -100.99 156.18 17.55 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.499 178.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -62.93 113.38 3.04 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.441 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.12 3.77 41.67 Favored Glycine 0 C--N 1.34 0.752 0 C-N-CA 121.026 -0.607 . . . . 0.0 114.413 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -81.97 146.2 29.87 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 117.928 0.864 . . . . 0.0 111.723 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.3 t -83.99 115.89 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.593 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.5 t -124.78 126.27 71.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-O 120.67 0.271 . . . . 0.0 110.848 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -92.88 137.08 32.68 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.745 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 37.3 t -97.66 132.35 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.261 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -116.76 -37.28 3.68 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.719 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.1 p -136.07 148.34 48.26 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -125.71 112.83 16.55 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.185 178.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.3 mt -69.97 145.4 51.88 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -115.91 -176.62 2.98 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.91 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.84 -126.71 7.92 Favored Glycine 0 C--N 1.339 0.718 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.695 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.5 ptt-85 -78.22 -12.68 60.01 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.585 0.231 . . . . 0.0 111.365 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -119.55 53.99 0.66 Allowed Glycine 0 C--N 1.336 0.542 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.16 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -15.67 62.56 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 122.271 0.228 . . . . 0.0 111.553 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -100.06 7.71 44.49 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.936 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -107.22 119.84 40.48 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.504 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 32.9 m0 -111.72 -171.87 1.93 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.856 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.435 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -166.42 157.63 30.2 Favored Glycine 0 C--N 1.336 0.582 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.38 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 171.61 -148.58 11.12 Favored Glycine 0 C--N 1.333 0.383 0 N-CA-C 112.09 -0.404 . . . . 0.0 112.09 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.3 p -133.45 138.63 46.28 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.6 p -90.6 126.43 43.38 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 121.235 0.541 . . . . 0.0 111.739 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -90.13 -19.24 24.51 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.77 -67.99 1.82 Allowed Glycine 0 C--N 1.342 0.879 0 CA-C-N 116.2 -0.455 . . . . 0.0 113.657 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.5 p-10 -112.85 153.21 28.24 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.54 0.21 . . . . 0.0 111.057 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -136.64 -97.78 0.21 Allowed 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 48.2 61.19 3.14 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 123.087 0.555 . . . . 0.0 111.231 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.06 130.86 3.55 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -178.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -39.16 113.97 0.36 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.686 0.794 . . . . 0.0 112.256 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.5 tp -146.96 -39.32 0.2 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.045 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.46 -8.29 59.02 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.412 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.93 -19.57 17.98 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.651 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.45 0.77 21.19 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.836 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.4 mt 57.79 -179.9 0.06 Allowed 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.44 -176.48 38.24 Favored Glycine 0 C--N 1.337 0.586 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.364 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.435 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 99.0 m-85 -134.89 147.64 49.89 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 117.097 0.448 . . . . 0.0 111.029 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -152.71 158.13 33.22 Favored Pre-proline 0 CA--C 1.546 0.818 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.372 -178.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -76.97 135.82 15.93 Favored 'Trans proline' 0 C--N 1.368 1.6 0 C-N-CA 122.454 2.103 . . . . 0.0 111.962 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 97.0 p -65.91 -19.76 65.98 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.6 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.4 p -66.86 -16.84 64.57 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.9 pt -102.45 2.21 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.7 m -119.15 155.24 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -120.87 112.49 18.86 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.025 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -85.85 140.41 30.44 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.762 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -153.64 -30.69 0.12 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.759 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 45.6 tp60 -122.88 119.67 31.21 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.4 m -102.38 115.88 31.47 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.7 mt -86.04 -19.2 30.64 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -177.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.437 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -168.08 131.81 1.39 Allowed Pre-proline 0 N--CA 1.473 0.703 0 O-C-N 123.357 0.41 . . . . 0.0 110.993 -179.377 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -57.21 129.06 32.24 Favored 'Trans proline' 0 C--N 1.371 1.723 0 C-N-CA 123.029 2.486 . . . . 0.0 113.574 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -105.7 82.45 0.33 Allowed Glycine 0 C--N 1.333 0.39 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 179.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.2 ptpp? -125.12 29.49 6.09 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 53.4 t -115.93 133.95 60.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -103.11 117.05 33.68 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.906 0.384 . . . . 0.0 111.258 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.8 t -123.44 133.02 70.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.865 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.442 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 24.3 pttm -80.07 163.74 23.93 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.433 0.159 . . . . 0.0 110.821 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.0 p -94.72 157.84 15.78 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.423 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -111.14 -172.1 1.96 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.547 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.27 -17.73 51.34 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.766 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -76.33 -22.53 54.83 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.764 0.316 . . . . 0.0 110.385 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.21 139.82 38.94 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.854 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 58.23 46.05 16.34 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 123.951 0.782 . . . . 0.0 111.127 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -141.45 101.38 3.98 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.113 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.465 ' HB2' ' HB2' ' A' ' 36' ' ' CYS . 42.4 t -98.17 134.25 41.48 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.781 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.83 -179.937 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 ptp . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 121.605 0.717 . . . . 0.0 111.535 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -171.2 162.77 35.58 Favored Glycine 0 C--N 1.336 0.543 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.685 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -84.38 125.65 3.48 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 122.267 1.978 . . . . 0.0 113.229 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.469 ' HG3' HH21 ' A' ' 37' ' ' ARG . 4.6 ppp? -128.44 155.68 78.24 Favored Pre-proline 0 CA--C 1.542 0.639 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.172 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -50.16 131.07 30.07 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.864 2.376 . . . . 0.0 113.52 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -56.75 134.49 54.97 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.615 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.4 tp -78.93 -34.83 44.19 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.17 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.62 169.83 18.18 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.834 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -110.03 -53.66 2.65 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.16 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -117.16 148.61 41.44 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.931 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.1 pttt -127.73 176.55 7.45 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.042 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.3 mt -120.61 119.76 33.81 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.517 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 57.2 m -125.86 175.91 7.33 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.671 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.16 -39.2 34.06 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.087 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -128.79 172.45 11.27 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -67.53 -19.66 65.33 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.034 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -88.72 -19.41 26.14 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.786 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.6 t 56.08 30.91 17.16 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.828 0.823 . . . . 0.0 109.956 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.5 t -100.73 17.07 22.92 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.468 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -121.36 148.5 49.93 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.789 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.423 ' HB2' HD12 ' A' ' 91' ' ' LEU . 31.0 Cg_endo -90.01 119.99 0.84 Allowed 'Trans proline' 0 C--N 1.365 1.412 0 C-N-CA 122.696 2.264 . . . . 0.0 111.912 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.1 mt -62.83 -64.34 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.043 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.4 m -141.47 145.92 35.83 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.088 0.471 . . . . 0.0 112.021 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -89.53 114.62 26.18 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.244 -0.889 . . . . 0.0 108.82 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.52 143.39 45.66 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.957 0.408 . . . . 0.0 111.974 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.5 t -96.59 136.23 28.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.127 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.41 133.74 39.8 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.943 0.402 . . . . 0.0 111.628 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.3 mt -100.12 -16.62 17.77 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.163 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -153.24 -175.91 5.55 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.36 155.59 17.15 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.947 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -151.32 146.64 26.15 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.815 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -115.47 137.45 52.04 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.012 0.195 . . . . 0.0 110.629 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.14 111.3 46.03 Favored Pre-proline 0 CA--C 1.538 0.512 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -75.21 -59.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.365 1.42 0 C-N-CA 122.666 2.244 . . . . 0.0 112.785 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -91.04 170.96 9.6 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.214 0.531 . . . . 0.0 112.377 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.4 p -62.74 -24.4 67.68 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.576 ' HB3' HH11 ' A' ' 37' ' ' ARG . 0.0 OUTLIER -99.54 16.44 23.31 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -178.202 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.417 ' HA ' ' H ' ' A' ' 79' ' ' TYR . 1.8 m-85 -109.51 163.58 13.3 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.472 ' HB2' ' HA3' ' A' ' 78' ' ' GLY . 54.2 tp -124.35 136.58 54.2 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -177.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.8 m -89.74 128.85 36.18 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.386 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.496 HD11 HD13 ' A' ' 84' ' ' ILE . 54.5 mt -128.29 149.06 32.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.79 -178.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -116.18 151.02 36.51 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -60.77 115.17 3.46 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.29 0.368 . . . . 0.0 111.698 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.14 6.72 44.9 Favored Glycine 0 C--N 1.339 0.728 0 CA-C-N 115.859 -0.609 . . . . 0.0 114.295 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -87.61 149.0 24.58 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 117.796 0.798 . . . . 0.0 112.21 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.1 t -80.63 117.0 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.072 0 CA-C-N 115.03 -0.986 . . . . 0.0 108.914 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.552 HG22 HG21 ' A' ' 65' ' ' VAL . 12.9 t -122.63 117.07 50.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.558 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -87.78 122.71 31.77 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.199 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.6 t -86.65 131.73 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -112.75 -33.16 6.19 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.0 p -146.93 148.37 31.7 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.8 mttm -120.57 114.03 21.13 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.6 mt -65.22 150.04 48.9 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -177.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -118.09 -41.2 2.9 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.017 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -66.97 100.83 0.59 Allowed Glycine 0 C--N 1.341 0.836 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.534 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.2 ptt85 43.88 25.02 0.08 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.995 1.318 . . . . 0.0 113.35 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -110.61 -58.69 0.49 Allowed Glycine 0 C--N 1.336 0.566 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 52.05 -74.89 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.145 1.378 . . . . 0.0 113.454 178.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 74.1 mt -75.94 -10.13 59.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.641 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -88.86 118.82 28.84 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.174 0.511 . . . . 0.0 110.783 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 52.6 m0 -110.45 -175.59 2.76 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.422 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -162.5 142.25 7.8 Favored Glycine 0 C--N 1.337 0.616 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.713 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.4 -147.08 6.52 Favored Glycine 0 C--N 1.337 0.635 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.777 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.6 p -136.08 169.58 17.38 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.584 0.226 . . . . 0.0 110.763 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.552 HG21 HG22 ' A' ' 47' ' ' VAL . 73.2 t -116.29 126.73 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.536 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -79.07 -93.94 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.093 178.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 76.87 -78.39 1.38 Allowed Glycine 0 C--N 1.343 0.948 0 C-N-CA 121.633 -0.317 . . . . 0.0 113.12 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -118.42 -34.98 3.88 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 122.431 0.292 . . . . 0.0 111.174 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 44.0 t80 58.44 93.09 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 O-C-N 124.312 1.008 . . . . 0.0 111.799 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -131.17 2.76 4.29 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.956 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.05 57.38 1.39 Allowed Glycine 0 C--N 1.339 0.731 0 C-N-CA 121.094 -0.574 . . . . 0.0 114.079 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -165.33 -40.53 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.616 0.246 . . . . 0.0 110.471 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.28 -18.42 28.6 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.165 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.2 -20.54 30.04 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.677 0.275 . . . . 0.0 110.911 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.56 -176.59 4.35 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.421 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 37.34 82.58 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.161 0.984 . . . . 0.0 112.816 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.6 mt -59.1 123.94 18.28 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.768 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.472 ' HA3' ' HB2' ' A' ' 39' ' ' LEU . . . -117.69 167.62 12.82 Favored Glycine 0 C--N 1.333 0.4 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.669 -179.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.417 ' H ' ' HA ' ' A' ' 38' ' ' PHE . 17.7 m-85 -104.68 150.46 24.7 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.834 0.35 . . . . 0.0 110.98 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -152.37 151.15 26.79 Favored Pre-proline 0 CA--C 1.542 0.636 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.652 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.46 ' O ' HG12 ' A' ' 84' ' ' ILE . 11.2 Cg_exo -71.86 142.23 38.71 Favored 'Trans proline' 0 C--N 1.366 1.464 0 C-N-CA 122.264 1.976 . . . . 0.0 111.784 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 94.6 p -66.3 -22.09 66.28 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.212 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.5 p -67.58 -19.3 65.24 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.496 HD13 HD11 ' A' ' 41' ' ' ILE . 21.6 pt -92.58 -3.68 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 C-N-CA 120.42 -0.512 . . . . 0.0 112.214 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.9 m -126.46 168.19 19.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 120.964 0.411 . . . . 0.0 111.858 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -139.52 117.45 11.72 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.129 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -76.39 129.72 37.0 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.905 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -122.06 -35.04 3.23 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.465 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -143.89 140.78 29.94 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.103 0.252 . . . . 0.0 111.591 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 55.8 m -101.91 125.63 48.63 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.898 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.423 HD12 ' HB2' ' A' ' 21' ' ' PRO . 20.2 mt -87.19 -24.86 24.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.168 -179.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -166.5 136.85 2.63 Favored Pre-proline 0 N--CA 1.469 0.497 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.482 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -62.79 123.72 12.81 Favored 'Trans proline' 0 C--N 1.366 1.493 0 C-N-CA 122.837 2.358 . . . . 0.0 113.252 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -100.42 89.92 0.87 Allowed Glycine 0 C--N 1.335 0.526 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.89 33.52 2.65 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 49.0 t -120.34 114.8 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.957 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -78.8 115.32 18.41 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.335 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 24.7 t -125.01 126.36 71.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.095 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -76.43 160.52 29.46 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.824 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 62.5 p -101.55 163.62 12.17 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.142 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -109.25 -177.53 3.32 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.527 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -77.69 -22.87 49.83 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.521 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 76.2 m95 -76.99 -14.28 59.86 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.439 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -80.93 -26.64 36.55 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -119.0 43.69 2.51 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.178 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -150.6 115.77 5.36 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.461 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.7 p -123.72 140.11 53.32 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.701 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.304 -0.855 . . . . 0.0 111.008 -179.71 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.68 0.276 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.18 177.13 14.81 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.946 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -78.89 110.52 2.8 Favored 'Trans proline' 0 C--N 1.363 1.326 0 C-N-CA 122.502 2.135 . . . . 0.0 111.867 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.7 ptm -142.74 149.52 50.4 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.327 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -89.12 167.31 5.51 Favored 'Trans proline' 0 C--N 1.362 1.24 0 C-N-CA 122.969 2.446 . . . . 0.0 113.461 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.592 ' HG2' ' HD2' ' A' ' 37' ' ' ARG . 3.9 mtpt -90.43 -160.65 0.72 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.644 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.535 HD23 ' H ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -92.29 -22.58 19.66 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.479 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.32 -162.92 0.85 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.204 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -139.86 -20.76 0.89 Allowed 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.454 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 0.7 OUTLIER -128.95 149.24 50.89 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 120.722 0.296 . . . . 0.0 111.139 178.823 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 98' ' ' VAL . 20.7 pttp -127.82 173.29 10.09 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.583 -179.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.3 mt -126.97 119.99 28.01 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.075 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.408 ' HA ' HD13 ' A' ' 22' ' ' ILE . 81.1 m -122.44 174.56 6.96 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.707 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.433 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -78.19 -31.16 49.38 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.214 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -145.02 173.85 11.54 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.971 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -64.41 -20.08 65.92 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.893 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -88.44 -22.25 23.8 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.766 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.4 t 57.6 28.58 15.87 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.833 0.825 . . . . 0.0 109.557 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.2 t -93.21 -9.62 38.6 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.969 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -96.18 147.25 32.68 Favored Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.45 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -89.77 120.39 0.92 Allowed 'Trans proline' 0 C--N 1.366 1.495 0 C-N-CA 122.787 2.325 . . . . 0.0 111.516 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' A' ' 13' ' ' CYS . 57.2 mt -66.17 -65.4 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.138 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.513 -179.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.8 m -138.98 141.37 38.38 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.154 0.502 . . . . 0.0 112.024 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.8 tmm? -90.12 114.64 26.61 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.642 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.61 145.45 42.69 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.2 t -95.37 141.53 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.603 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.72 135.57 34.08 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.27 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -100.35 -18.19 16.9 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -150.71 179.72 7.96 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -87.58 154.17 20.82 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.375 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -151.09 129.09 11.75 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.411 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 65.5 mtt -106.14 127.79 53.45 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 123.408 0.442 . . . . 0.0 110.508 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.97 120.27 61.85 Favored Pre-proline 0 CA--C 1.535 0.376 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -79.72 -64.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.363 1.331 0 C-N-CA 122.577 2.185 . . . . 0.0 111.729 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -91.93 169.9 10.29 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.445 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.8 t -64.73 -13.87 56.41 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.592 ' HD2' ' HG2' ' A' ' 6' ' ' LYS . 54.0 ttp85 -76.72 -30.04 56.48 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 117.894 0.315 . . . . 0.0 111.054 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -94.05 159.5 15.13 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.002 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.2 tp -119.14 139.11 52.35 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.93 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.9 m -88.48 121.18 30.58 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.464 HD11 HD13 ' A' ' 84' ' ' ILE . 64.3 mt -127.76 141.1 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.3 -178.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -103.34 154.68 19.12 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.405 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -64.29 122.57 16.97 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.797 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.74 -4.67 63.71 Favored Glycine 0 C--N 1.337 0.584 0 C-N-CA 121.089 -0.577 . . . . 0.0 114.073 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -80.94 152.63 27.95 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 117.468 0.634 . . . . 0.0 111.888 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.6 t -89.52 126.59 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-N 115.234 -0.893 . . . . 0.0 109.742 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.0 t -127.35 129.21 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.677 0.275 . . . . 0.0 110.969 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -95.37 126.47 40.7 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.585 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.3 t -90.23 130.17 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.329 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -111.23 -36.25 5.65 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.766 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 62.0 p -136.13 146.35 46.85 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -130.72 111.45 12.18 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.405 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.587 HD11 ' HD3' ' A' ' 6' ' ' LYS . 58.4 mt -70.9 156.13 39.96 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.449 0.166 . . . . 0.0 111.21 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -137.18 170.29 16.35 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.054 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.42 -98.45 2.09 Favored Glycine 0 C--N 1.336 0.576 0 CA-C-N 115.955 -0.566 . . . . 0.0 113.213 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.3 mmm-85 -73.7 -34.61 64.91 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 122.307 0.243 . . . . 0.0 111.295 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.3 60.24 0.68 Allowed Glycine 0 C--N 1.334 0.45 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.238 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -11.08 60.74 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 66.2 mt -101.76 6.58 41.8 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.091 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -113.04 124.02 51.64 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.192 0.52 . . . . 0.0 111.531 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 45.3 m0 -111.57 -171.81 1.91 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.813 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.468 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -166.49 156.55 28.51 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.413 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 167.21 -153.37 22.87 Favored Glycine 0 C--N 1.338 0.644 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.46 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 86.3 p -126.62 142.4 51.55 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.497 0.189 . . . . 0.0 110.604 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 p -92.29 124.36 44.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 121.289 0.566 . . . . 0.0 111.6 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -85.03 133.14 34.25 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.142 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 174.72 -24.44 0.07 OUTLIER Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.62 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -142.03 80.58 1.72 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.226 0.536 . . . . 0.0 110.962 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -100.46 -0.16 38.52 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.724 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -76.96 -27.24 54.73 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.834 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -117.35 -96.83 1.91 Allowed Glycine 0 N--CA 1.452 -0.245 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.962 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -158.87 119.92 3.33 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.62 -34.61 0.11 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.54 -5.37 47.34 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.15 -42.89 79.4 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.593 0.235 . . . . 0.0 110.663 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -82.91 118.67 23.62 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.392 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.4 tp -98.56 133.78 42.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.599 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -135.42 -168.94 11.72 Favored Glycine 0 C--N 1.338 0.686 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.793 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.468 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 65.1 m-85 -131.09 152.46 50.36 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.58 0.229 . . . . 0.0 110.808 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -150.64 151.42 30.56 Favored Pre-proline 0 CA--C 1.542 0.642 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.348 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -73.45 139.5 28.75 Favored 'Trans proline' 0 C--N 1.369 1.623 0 C-N-CA 122.467 2.111 . . . . 0.0 111.908 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 98.5 p -64.15 -20.07 65.73 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.893 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.3 t -65.42 -20.66 66.47 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.464 HD13 HD11 ' A' ' 41' ' ' ILE . 32.0 pt -96.78 -3.56 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.462 HG12 HG13 ' A' ' 84' ' ' ILE . 20.1 m -124.39 169.56 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 121.083 0.468 . . . . 0.0 111.928 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -142.96 115.24 8.44 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.018 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -62.77 134.38 56.18 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.936 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -117.82 -46.02 2.66 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.063 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -148.72 135.02 19.41 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.1 m -88.87 120.98 30.77 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.8 mt -86.07 -30.98 22.19 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.402 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -154.98 127.31 3.96 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.565 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -53.24 128.16 28.03 Favored 'Trans proline' 0 C--N 1.37 1.691 0 C-N-CA 122.806 2.337 . . . . 0.0 113.877 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.433 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -103.98 91.49 0.82 Allowed Glycine 0 C--N 1.335 0.488 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -132.85 28.67 4.19 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 41.3 t -117.03 133.68 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.29 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -101.29 120.03 39.64 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.904 0.383 . . . . 0.0 111.298 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.424 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 15.4 t -128.0 127.83 68.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.546 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.454 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -79.63 167.29 20.89 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.596 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.2 p -108.29 130.54 55.18 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.716 0.293 . . . . 0.0 111.218 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -102.29 -112.41 0.21 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.848 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.84 -3.26 4.66 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.415 0.552 . . . . 0.0 111.756 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -92.98 -9.66 39.11 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.675 0.274 . . . . 0.0 110.814 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -79.69 -28.2 40.67 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.281 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -143.48 83.88 1.79 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.326 0.584 . . . . 0.0 111.866 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -150.86 94.59 2.09 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.549 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 78.3 m -105.13 52.89 0.73 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.179 -178.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.358 -0.829 . . . . 0.0 110.371 179.545 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.684 0.278 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 125.53 172.37 13.41 Favored Glycine 0 C--N 1.334 0.469 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.53 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -83.43 107.18 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 C-N-CA 122.574 2.182 . . . . 0.0 112.551 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.87 176.29 1.58 Allowed Pre-proline 0 CA--C 1.553 1.082 0 CA-C-O 118.249 -0.882 . . . . 0.0 108.856 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -49.25 147.46 11.65 Favored 'Trans proline' 0 C--N 1.382 2.308 0 C-N-CA 122.349 2.033 . . . . 0.0 113.342 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.476 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 4.6 mptt -63.75 -38.54 91.49 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.104 -179.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 6' ' ' LYS . 1.1 pp 56.39 5.31 0.18 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.879 1.272 . . . . 0.0 113.554 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -163.73 174.13 12.01 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 122.471 0.309 . . . . 0.0 110.964 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -139.44 -53.04 0.55 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.145 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.448 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 1.4 mpp_? -127.69 151.14 49.34 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.473 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.449 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 56.8 pttt -119.78 165.53 14.44 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.008 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.0 mt -114.47 113.48 24.53 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.556 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 59.0 m -118.03 174.45 6.2 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.786 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.44 -30.56 27.18 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.326 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -140.88 174.79 10.18 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.016 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -67.5 -19.24 65.29 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.979 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -88.59 -20.52 24.88 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.574 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.1 t 56.04 30.74 16.76 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.904 0.859 . . . . 0.0 109.918 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.0 t -96.11 -4.18 43.25 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.948 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -106.28 147.53 35.04 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.736 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -90.82 130.13 1.45 Allowed 'Trans proline' 0 C--N 1.365 1.428 0 C-N-CA 122.991 2.461 . . . . 0.0 111.858 179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.2 mp -73.29 -62.89 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.117 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.343 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.2 m -132.62 144.01 50.07 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 25.5 ttp -93.62 109.73 21.35 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 87' ' ' GLU . . . -108.67 144.4 36.48 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.4 t -98.61 137.53 25.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.739 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.3 127.71 33.06 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 123.236 0.335 . . . . 0.0 111.452 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.0 mt -93.84 -17.54 22.97 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.414 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -153.55 -175.54 5.41 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.58 153.74 17.68 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.634 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -151.35 146.85 26.28 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.111 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.4 mmt -117.79 142.61 47.1 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.39 106.63 14.36 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -78.98 -47.11 0.1 OUTLIER 'Trans proline' 0 C--N 1.367 1.506 0 C-N-CA 122.811 2.341 . . . . 0.0 112.166 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -89.16 161.86 16.25 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.568 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 36.7 t -63.72 -31.84 73.14 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.258 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.22 -0.09 56.71 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -89.3 169.16 11.66 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.622 0.249 . . . . 0.0 111.299 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.484 ' HB2' ' HA3' ' A' ' 78' ' ' GLY . 52.9 tp -128.71 137.6 51.69 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.82 -178.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 42.5 m -91.09 127.98 36.73 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.69 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.47 HD11 HD13 ' A' ' 84' ' ' ILE . 47.8 mt -126.97 150.54 32.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.86 -178.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -117.62 150.24 39.35 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -62.01 117.77 6.4 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.684 0.278 . . . . 0.0 111.52 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.58 -2.82 36.62 Favored Glycine 0 C--N 1.338 0.668 0 C-N-CA 120.927 -0.654 . . . . 0.0 114.1 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -83.08 144.53 29.83 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 117.663 0.732 . . . . 0.0 111.712 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.3 t -83.64 124.04 39.31 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.1 t -125.01 118.19 52.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 120.956 0.407 . . . . 0.0 111.345 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -86.03 123.49 31.4 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.936 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 36.9 t -87.49 122.16 38.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.395 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -103.52 -22.21 13.65 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.449 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 69.4 p -154.93 141.87 19.18 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -119.76 112.58 19.44 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.083 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.5 mt -68.3 151.84 46.32 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -120.07 179.78 4.17 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.826 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.47 -121.56 5.55 Favored Glycine 0 C--N 1.339 0.728 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.504 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -76.91 -19.02 57.91 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.696 0.284 . . . . 0.0 110.93 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -105.12 47.25 1.08 Allowed Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.947 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -66.27 -26.97 67.59 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 122.707 0.403 . . . . 0.0 111.166 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -103.6 18.79 21.1 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.063 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -115.05 117.88 31.82 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.127 0.489 . . . . 0.0 111.194 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 33.0 m0 -110.56 178.65 4.3 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.413 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -159.83 147.94 15.8 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.331 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 175.82 -153.98 16.22 Favored Glycine 0 C--N 1.335 0.505 0 C-N-CA 121.334 -0.46 . . . . 0.0 112.52 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.4 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 87.7 p -132.34 153.5 50.68 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.396 0.141 . . . . 0.0 110.668 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 91.7 t -94.76 122.39 46.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 111.59 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -106.16 76.73 1.18 Allowed 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.07 177.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -132.9 68.84 0.54 Allowed Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.913 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 62.95 74.76 0.42 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.282 0.633 . . . . 0.0 111.732 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -120.47 102.18 8.27 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.392 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -102.68 -5.18 24.07 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.698 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.7 -117.77 3.69 Favored Glycine 0 C--N 1.336 0.536 0 C-N-CA 121.087 -0.577 . . . . 0.0 112.364 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -153.04 100.89 2.53 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.715 0.293 . . . . 0.0 110.326 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -150.73 -50.17 0.13 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.4 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . -83.33 75.03 10.0 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.001 0.429 . . . . 0.0 110.979 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.68 -30.94 0.11 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.487 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.94 -9.75 58.46 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.888 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.9 mt 63.9 139.91 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.244 1.017 . . . . 0.0 113.473 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.484 ' HA3' ' HB2' ' A' ' 39' ' ' LEU . . . -132.64 173.38 20.9 Favored Glycine 0 C--N 1.335 0.503 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.892 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -121.7 142.35 50.25 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.86 0.362 . . . . 0.0 110.997 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -146.85 154.93 47.95 Favored Pre-proline 0 CA--C 1.542 0.671 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.16 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -74.61 138.05 23.52 Favored 'Trans proline' 0 C--N 1.367 1.521 0 C-N-CA 122.23 1.953 . . . . 0.0 111.473 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 90.2 p -63.87 -18.15 63.88 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.859 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.4 t -65.35 -23.33 66.96 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.47 HD13 HD11 ' A' ' 41' ' ' ILE . 25.2 pt -92.39 -6.11 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 21.4 m -127.28 163.59 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -145.51 112.36 5.97 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.321 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 25' ' ' ALA . 1.0 OUTLIER -82.85 136.56 34.59 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.744 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -127.23 -21.08 3.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.432 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -133.81 116.25 15.47 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.705 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.4 m -84.31 126.66 33.4 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.223 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.6 mt -88.2 -41.01 13.25 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.075 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.41 ' HG3' ' HD2' ' A' ' 93' ' ' PRO . 1.7 tpmt? -150.76 132.79 8.0 Favored Pre-proline 0 CA--C 1.543 0.693 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.255 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.41 ' HD2' ' HG3' ' A' ' 92' ' ' LYS . 84.3 Cg_exo -48.73 126.72 15.11 Favored 'Trans proline' 0 C--N 1.374 1.888 0 C-N-CA 123.172 2.581 . . . . 0.0 113.927 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -105.43 78.14 0.26 Allowed Glycine 0 C--N 1.333 0.374 0 N-CA-C 111.251 -0.739 . . . . 0.0 111.251 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -121.31 22.88 10.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.4 t -113.7 136.66 49.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -112.93 120.22 40.65 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.799 0.333 . . . . 0.0 110.878 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.1 t -124.27 134.16 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.057 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.448 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 95.4 mttt -73.9 154.23 39.49 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.71 -0.223 . . . . 0.0 110.638 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 64.8 p -103.23 140.65 37.09 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 52.8 p30 -98.11 -170.38 1.96 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? -79.34 -8.6 59.2 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -95.24 23.84 5.48 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.789 0.328 . . . . 0.0 111.424 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -113.14 -21.62 10.93 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.354 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -148.61 58.92 1.07 Allowed 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.214 0.531 . . . . 0.0 111.932 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -150.15 114.49 5.18 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.574 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 93.4 m -119.18 146.37 45.24 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.741 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.273 -0.87 . . . . 0.0 111.06 -179.906 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.825 0.345 . . . . 0.0 111.346 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.06 170.43 31.92 Favored Glycine 0 C--N 1.334 0.472 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.965 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -82.78 166.11 15.31 Favored 'Trans proline' 0 C--N 1.361 1.199 0 C-N-CA 122.727 2.285 . . . . 0.0 112.258 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.608 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 1.6 pmm? -153.63 173.11 4.94 Favored Pre-proline 0 CA--C 1.546 0.821 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.317 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.608 ' HD2' ' HB2' ' A' ' 4' ' ' MET . 41.6 Cg_endo -65.72 137.23 48.95 Favored 'Trans proline' 0 C--N 1.37 1.668 0 C-N-CA 122.188 1.925 . . . . 0.0 111.64 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -66.89 129.1 38.77 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.374 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.8 mt -78.42 -29.54 47.18 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.48 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -150.17 -175.43 5.06 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.994 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -121.4 -52.17 2.05 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.07 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -123.43 161.06 25.54 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.172 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -141.26 177.88 7.79 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.927 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -108.32 134.02 51.72 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.743 178.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 94.9 m -138.67 165.73 26.18 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 123.604 0.565 . . . . 0.0 110.438 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.425 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -79.79 -30.88 40.73 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.058 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -141.94 172.2 13.01 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.261 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -67.19 -15.37 63.66 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.392 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -89.21 -20.26 24.4 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.819 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.9 m 56.81 28.15 13.97 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 123.654 0.596 . . . . 0.0 110.199 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.1 t -96.48 -5.49 39.41 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.572 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -98.3 152.05 37.79 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.66 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -91.65 117.64 0.48 Allowed 'Trans proline' 0 C--N 1.368 1.576 0 C-N-CA 122.755 2.303 . . . . 0.0 112.067 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 36.9 mt -71.01 -62.55 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.1 p -135.65 137.15 41.57 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.8 tmm? -89.59 116.02 27.42 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.05 146.33 42.27 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.142 0.496 . . . . 0.0 112.328 -178.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.7 t -99.36 137.06 27.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.206 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.34 131.88 37.19 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.225 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.0 mt -98.76 -15.32 19.36 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.63 -0.713 . . . . 0.0 112.579 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -153.37 179.71 8.52 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -89.08 151.78 22.03 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.457 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -151.57 130.39 12.44 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.823 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -105.08 133.57 49.64 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.09 112.33 44.77 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -78.66 -52.4 0.06 OUTLIER 'Trans proline' 0 C--N 1.365 1.413 0 C-N-CA 122.473 2.115 . . . . 0.0 111.774 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -90.92 162.68 14.66 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.664 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.8 t -62.7 -31.93 72.93 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.323 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -77.49 -13.48 59.91 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -91.04 157.55 17.19 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.614 0.245 . . . . 0.0 111.369 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.4 mt -113.56 143.97 43.65 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.33 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 37.5 m -94.49 112.08 23.85 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.5 HD11 HD12 ' A' ' 84' ' ' ILE . 71.1 mt -113.8 146.68 18.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.938 -177.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -110.96 151.84 27.48 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.009 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -64.32 120.29 11.92 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.533 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.34 -7.69 51.59 Favored Glycine 0 C--N 1.338 0.664 0 C-N-CA 120.992 -0.623 . . . . 0.0 113.994 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -79.26 151.66 31.01 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 117.426 0.613 . . . . 0.0 111.76 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.6 t -91.01 109.79 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.07 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 65' ' ' VAL . 16.5 t -109.63 126.87 66.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 120.6 0.238 . . . . 0.0 110.583 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -93.96 128.79 40.48 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.066 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.3 t -89.01 127.94 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.729 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -107.82 -22.36 12.49 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.629 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.0 p -154.23 157.2 38.4 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -130.91 107.46 9.13 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.2 mt -67.36 157.48 33.93 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -123.4 -178.51 4.02 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.804 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.29 -138.26 18.2 Favored Glycine 0 C--N 1.34 0.772 0 CA-C-N 116.059 -0.519 . . . . 0.0 113.282 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 -69.49 -26.36 64.51 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 122.59 0.356 . . . . 0.0 111.591 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -110.68 39.57 2.85 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 121.25 -0.5 . . . . 0.0 112.113 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.1 ptt-85 -69.41 -16.55 63.52 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.9 mt -84.72 9.44 13.96 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.598 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -112.24 120.97 43.58 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.132 0.491 . . . . 0.0 111.063 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 22.4 m0 -108.02 119.89 40.75 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.878 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.56 161.48 42.64 Favored Glycine 0 C--N 1.333 0.414 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.098 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 148.67 -159.34 28.0 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.86 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.9 m -154.84 153.79 31.71 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.909 0.385 . . . . 0.0 111.171 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 47' ' ' VAL . 9.0 p -70.04 162.95 3.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.97 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -31.09 135.3 0.06 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.506 1.123 . . . . 0.0 113.187 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -78.86 69.9 2.81 Favored Glycine 0 C--N 1.338 0.67 0 CA-C-N 115.566 -0.743 . . . . 0.0 113.587 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -97.57 -15.94 20.28 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 55.62 75.91 0.3 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.368 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -94.18 -16.46 23.67 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.611 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 177.57 -72.63 0.07 OUTLIER Glycine 0 C--N 1.333 0.387 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.431 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -148.29 35.29 0.81 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.033 0.444 . . . . 0.0 111.136 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.4 mt -79.51 -73.09 0.36 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.571 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.96 62.61 1.87 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.129 0.49 . . . . 0.0 110.937 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -146.46 -43.24 0.19 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.624 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -92.9 -18.26 23.01 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.952 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.8 tp 65.94 143.59 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 O-C-N 124.387 1.054 . . . . 0.0 111.468 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -149.49 -156.61 7.28 Favored Glycine 0 C--N 1.344 0.981 0 C-N-CA 120.174 -1.012 . . . . 0.0 113.797 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -136.35 155.89 49.41 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 122.625 0.37 . . . . 0.0 110.81 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -154.51 148.23 18.74 Favored Pre-proline 0 CA--C 1.541 0.605 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.913 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.401 ' O ' HG12 ' A' ' 84' ' ' ILE . 12.5 Cg_exo -70.64 135.2 27.79 Favored 'Trans proline' 0 C--N 1.365 1.401 0 C-N-CA 122.182 1.921 . . . . 0.0 111.734 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 93.1 p -65.07 -21.21 66.79 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.447 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.2 m -66.16 -22.01 66.35 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.5 HD12 HD11 ' A' ' 41' ' ' ILE . 30.1 pt -95.4 -5.21 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.4 m -122.41 163.55 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 111.539 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -137.63 114.61 10.72 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.218 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -69.71 130.13 41.5 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.062 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -127.11 -34.3 2.34 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.548 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.78 127.66 18.3 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 55.9 m -89.0 124.83 34.64 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 40.4 mt -87.29 -39.62 15.22 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.485 -178.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -152.81 125.06 3.88 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.58 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -49.37 130.13 24.39 Favored 'Trans proline' 0 C--N 1.37 1.665 0 C-N-CA 123.173 2.582 . . . . 0.0 114.306 -178.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.425 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -109.39 86.33 0.44 Allowed Glycine 0 C--N 1.334 0.447 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -126.24 30.81 5.53 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.6 t -122.74 109.66 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.87 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -75.03 120.38 20.48 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.65 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.7 131.47 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.867 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -78.51 164.02 25.07 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.675 -0.238 . . . . 0.0 110.993 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 66.9 p -97.86 152.14 19.5 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.778 0.323 . . . . 0.0 111.331 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -113.0 -170.65 1.71 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.232 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.87 2.57 41.98 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -106.78 18.04 22.39 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.763 0.316 . . . . 0.0 110.649 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -102.66 -34.64 8.99 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.916 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -144.44 61.25 1.34 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.39 0.614 . . . . 0.0 111.221 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -150.77 95.02 2.16 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.533 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 66.8 m -98.42 91.53 5.24 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.518 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.623 -179.819 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.422 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 66.0 mtt . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.972 0.415 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -156.98 171.51 34.44 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 120.942 -0.647 . . . . 0.0 113.019 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -81.84 118.21 3.06 Favored 'Trans proline' 0 C--N 1.363 1.327 0 C-N-CA 122.792 2.328 . . . . 0.0 111.832 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.533 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 31.0 mtm -127.61 167.89 16.81 Favored Pre-proline 0 CA--C 1.543 0.678 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.288 -178.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.533 ' HD2' ' HB3' ' A' ' 4' ' ' MET . 73.5 Cg_endo -73.58 -176.16 2.4 Favored 'Trans proline' 0 C--N 1.376 1.994 0 C-N-CA 122.275 1.983 . . . . 0.0 112.337 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -90.13 131.23 36.09 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.8 mt -90.26 -29.78 17.94 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.515 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.26 -174.6 4.63 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.35 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -127.52 -46.71 1.45 Allowed 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -129.19 155.03 46.18 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.803 0.335 . . . . 0.0 110.933 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.5 pttt -138.3 167.36 22.03 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.083 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -101.59 127.94 48.08 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 70.9 m -130.59 171.28 13.22 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.776 0.672 . . . . 0.0 110.707 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.449 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -78.21 -29.98 48.62 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.542 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -153.1 178.48 9.67 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.093 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -62.24 -22.4 65.94 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.279 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -88.68 -22.01 23.63 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.813 -0.176 . . . . 0.0 111.246 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.0 t 54.58 32.71 17.56 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.743 0.782 . . . . 0.0 109.859 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.0 t -100.64 2.8 41.97 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.275 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -106.37 152.22 40.5 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.61 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.487 ' HB2' HD13 ' A' ' 91' ' ' LEU . 40.7 Cg_endo -91.3 122.82 0.76 Allowed 'Trans proline' 0 C--N 1.368 1.562 0 C-N-CA 122.809 2.339 . . . . 0.0 112.067 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 36.7 mt -71.21 -65.32 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.549 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.1 t -134.55 140.18 45.95 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.051 0.453 . . . . 0.0 112.158 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.3 ttp -89.79 114.94 26.74 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.127 -0.942 . . . . 0.0 108.936 178.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.72 141.5 48.32 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.6 t -97.76 136.14 29.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.129 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.07 134.85 46.06 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.982 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.6 mt -97.62 -21.47 17.03 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.47 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -149.81 -179.45 7.14 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -87.2 150.69 23.75 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.485 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -151.85 137.15 17.55 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.653 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -112.77 139.15 48.63 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.28 107.81 37.8 Favored Pre-proline 0 CA--C 1.537 0.462 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -85.68 -42.04 0.06 OUTLIER 'Trans proline' 0 C--N 1.362 1.24 0 C-N-CA 122.385 2.056 . . . . 0.0 112.946 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -91.3 163.32 14.27 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.103 0.561 . . . . 0.0 111.486 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.2 t -60.68 -46.55 89.94 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.425 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -74.59 1.4 12.19 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -101.45 148.64 24.94 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 117.993 0.36 . . . . 0.0 110.968 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.38 142.73 46.3 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.018 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 66.7 m -88.77 125.12 34.74 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.436 HD12 HD12 ' A' ' 84' ' ' ILE . 75.7 mt -128.22 138.71 53.89 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.541 -178.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -104.32 156.81 17.6 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.806 178.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.9 ttp85 -63.32 115.65 4.76 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.549 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.89 3.15 49.16 Favored Glycine 0 C--N 1.34 0.756 0 CA-C-O 119.473 -0.626 . . . . 0.0 114.363 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -78.86 140.46 38.15 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 117.903 0.851 . . . . 0.0 111.689 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.7 t -83.1 100.9 7.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.0 t -105.15 124.99 60.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 111.485 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -91.47 124.76 35.89 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.276 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.8 t -87.47 134.12 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -113.53 -28.08 7.65 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 57.1 p -153.47 158.44 41.36 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -127.91 113.03 15.36 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.063 178.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.6 mt -69.22 151.97 45.65 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -113.79 -177.54 3.16 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.923 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.59 -132.96 11.68 Favored Glycine 0 C--N 1.34 0.772 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.586 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -72.66 -20.82 61.19 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.639 0.256 . . . . 0.0 110.814 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -105.47 46.91 1.11 Allowed Glycine 0 C--N 1.335 0.522 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.971 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -68.53 -26.69 65.56 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 122.499 0.32 . . . . 0.0 110.665 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 mp -89.58 -5.53 57.11 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.787 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -95.01 121.85 37.05 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.246 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 30.4 m0 -109.94 -172.9 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.29 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -160.57 158.1 29.56 Favored Glycine 0 C--N 1.336 0.528 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.371 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 166.6 -159.33 32.63 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 121.415 -0.421 . . . . 0.0 112.221 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 97.7 p -130.43 144.31 51.32 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.562 0.22 . . . . 0.0 110.692 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.5 p -89.17 133.0 32.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 CA-C-O 121.16 0.505 . . . . 0.0 111.333 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -104.34 -14.02 15.92 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.942 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -54.8 -42.09 77.68 Favored Glycine 0 C--N 1.339 0.729 0 CA-C-N 116.186 -0.461 . . . . 0.0 113.576 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -127.65 133.73 49.64 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.697 0.284 . . . . 0.0 111.331 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -151.49 104.86 3.11 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.993 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -108.93 -9.04 15.15 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.298 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 137.42 112.6 1.14 Allowed Glycine 0 C--N 1.333 0.416 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.335 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.8 t70 56.35 80.23 0.15 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.449 0.7 . . . . 0.0 111.17 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -139.63 -50.98 0.51 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.847 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.34 59.77 2.61 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.94 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -139.25 -22.96 0.91 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.427 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -106.34 3.88 27.99 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.685 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.0 mt 58.75 178.42 0.07 Allowed 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -174.56 130.32 1.76 Allowed Glycine 0 C--N 1.336 0.531 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.579 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.442 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 72.3 m-85 -85.53 148.1 26.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.993 0.425 . . . . 0.0 111.379 -178.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -151.6 155.74 34.28 Favored Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.887 -178.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -74.68 134.86 18.93 Favored 'Trans proline' 0 C--N 1.367 1.535 0 C-N-CA 122.201 1.934 . . . . 0.0 111.671 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 90.5 p -64.93 -17.52 64.43 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.864 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.9 t -66.31 -19.71 65.89 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.436 HD12 HD12 ' A' ' 41' ' ' ILE . 25.7 pt -97.25 -1.98 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -179.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.7 m -117.88 163.22 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-O 121.121 0.486 . . . . 0.0 112.162 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 64.4 ttt-85 -131.04 108.66 9.94 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.766 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -74.99 125.81 29.7 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.282 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -120.47 -34.08 3.71 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -146.45 138.53 24.92 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.1 m -94.23 122.15 36.47 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.487 HD13 ' HB2' ' A' ' 21' ' ' PRO . 13.7 mt -84.87 -30.52 24.38 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.341 -178.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -161.38 125.98 2.08 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.583 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -51.21 144.17 30.69 Favored 'Trans proline' 0 C--N 1.374 1.889 0 C-N-CA 122.808 2.339 . . . . 0.0 114.023 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.449 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -122.42 83.83 0.36 Allowed Glycine 0 C--N 1.337 0.614 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.72 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.22 15.05 14.02 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.783 0.325 . . . . 0.0 110.807 -178.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.8 t -114.8 101.57 12.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.212 -178.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -76.07 125.84 29.88 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.595 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 23.1 t -125.0 132.31 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.977 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.54 169.12 17.9 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.955 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 72.9 p -98.78 154.82 17.71 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.416 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -109.9 -170.84 1.72 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.802 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.406 ' HB2' ' NZ ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -79.29 -21.41 46.04 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.38 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -81.24 -3.19 51.59 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.088 0.242 . . . . 0.0 111.652 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.69 -14.55 37.07 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.292 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -115.37 -34.97 4.77 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.302 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -89.52 118.43 29.16 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.549 -178.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.422 ' SG ' ' HA ' ' A' ' 1' ' ' MET . 5.7 p -131.23 147.67 52.62 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.99 179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.751 179.838 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 121.102 0.477 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.06 172.29 17.15 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.476 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.12 135.07 18.38 Favored 'Trans proline' 0 C--N 1.363 1.3 0 C-N-CA 122.548 2.166 . . . . 0.0 111.95 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.432 ' HE1' ' NH2' ' A' ' 37' ' ' ARG . 3.5 ppp? -149.54 163.23 25.84 Favored Pre-proline 0 CA--C 1.548 0.887 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.09 -178.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -51.51 159.95 2.87 Favored 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 123.362 2.708 . . . . 0.0 114.191 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -75.83 153.92 36.52 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.616 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.454 HD12 HH21 ' A' ' 37' ' ' ARG . 68.7 mt -115.92 -35.59 4.4 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.647 178.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.79 -173.43 4.1 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.598 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -131.6 -44.28 1.0 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.487 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.8 mtt85 -129.8 158.17 40.18 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.078 0.466 . . . . 0.0 111.423 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -132.29 174.96 9.69 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.029 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.7 mt -119.9 120.71 37.21 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.57 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 62.9 m -122.17 -179.83 4.3 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.576 0.547 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.433 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -80.25 -27.83 38.59 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.558 179.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -149.27 173.83 13.06 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.466 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -65.91 -13.19 59.25 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -89.83 -21.4 22.6 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.2 m 57.15 31.32 19.8 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 121.637 0.732 . . . . 0.0 109.767 -177.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.9 t -100.44 -10.82 20.74 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.863 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -98.17 149.67 35.97 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.893 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -91.35 120.16 0.61 Allowed 'Trans proline' 0 C--N 1.368 1.555 0 C-N-CA 122.891 2.394 . . . . 0.0 111.625 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.5 mt -64.94 -64.96 0.61 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.159 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.546 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 61.2 p -138.04 141.43 40.36 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.49 ' HB2' HD11 ' A' ' 91' ' ' LEU . 15.2 tmm? -89.76 122.45 32.85 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.184 -0.916 . . . . 0.0 108.835 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -123.27 155.0 38.06 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.3 t -103.98 134.43 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.285 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.86 133.87 36.28 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -93.41 -21.54 19.46 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -152.93 -178.71 7.08 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.12 155.35 19.11 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.542 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -151.07 140.28 21.25 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.857 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.5 mmt -110.75 137.15 48.78 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.174 0.297 . . . . 0.0 110.455 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.403 ' H ' ' HG1' ' A' ' 40' ' ' THR . . . -84.26 111.5 34.22 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.92 -59.09 0.03 OUTLIER 'Trans proline' 0 C--N 1.364 1.385 0 C-N-CA 122.56 2.173 . . . . 0.0 112.123 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -91.43 170.62 9.81 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.022 0.439 . . . . 0.0 112.046 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.6 p -62.08 -25.83 67.93 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.454 HH21 HD12 ' A' ' 7' ' ' LEU . 15.8 mtm-85 -90.76 3.21 54.97 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -177.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -105.5 163.93 12.27 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.717 0.69 . . . . 0.0 112.737 -178.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.404 ' HG ' ' HA3' ' A' ' 78' ' ' GLY . 32.3 mt -115.03 151.58 33.97 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.59 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.403 ' HG1' ' H ' ' A' ' 33' ' ' ALA . 52.3 m -103.96 109.58 21.39 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 177.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 57.8 mt -111.44 151.81 13.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.12 -177.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -115.98 152.53 33.31 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.885 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -63.06 124.55 21.43 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.648 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.69 -11.08 62.83 Favored Glycine 0 C--N 1.338 0.678 0 C-N-CA 120.942 -0.647 . . . . 0.0 114.013 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -74.22 154.17 39.13 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.428 0.614 . . . . 0.0 111.665 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 t -92.09 115.78 31.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.883 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.9 t -113.4 124.16 69.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-O 120.641 0.258 . . . . 0.0 110.843 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -95.29 126.62 40.72 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.883 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.5 t -87.79 129.95 38.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.86 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.406 ' HB2' ' HA2' ' A' ' 63' ' ' GLY . 19.1 m-85 -111.24 -28.59 8.19 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.31 0.381 . . . . 0.0 111.789 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.4 p -148.66 163.75 36.37 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -133.32 109.72 9.56 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.3 mt -67.76 152.67 45.21 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.517 0.199 . . . . 0.0 111.361 -178.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -122.79 178.52 4.99 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.05 -133.54 11.58 Favored Glycine 0 C--N 1.337 0.603 0 C-N-CA 121.182 -0.532 . . . . 0.0 112.741 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -35.56 62.91 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.618 0.247 . . . . 0.0 110.917 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -105.37 48.18 1.0 Allowed Glycine 0 C--N 1.335 0.505 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.936 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.2 ptt-85 -71.5 -8.41 53.76 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -88.18 0.45 56.04 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.619 0.247 . . . . 0.0 110.795 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -102.69 122.28 44.13 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.645 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 36.2 m0 -111.07 134.48 52.64 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -91.74 166.53 30.25 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.403 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.406 ' HA2' ' HB2' ' A' ' 50' ' ' PHE . . . 152.31 -167.74 31.36 Favored Glycine 0 C--N 1.333 0.377 0 N-CA-C 111.975 -0.45 . . . . 0.0 111.975 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.7 p -126.43 156.59 40.37 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.594 0.235 . . . . 0.0 111.039 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.1 p -104.43 128.67 57.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -99.93 143.5 30.07 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.679 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.88 -42.12 0.18 Allowed Glycine 0 C--N 1.332 0.357 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -131.31 70.89 1.46 Allowed 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -71.99 89.29 1.1 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.768 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -121.9 -9.54 8.77 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.332 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.43 61.37 1.47 Allowed Glycine 0 C--N 1.337 0.587 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.613 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -152.69 -43.31 0.1 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 111.461 0.171 . . . . 0.0 111.461 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -89.33 -26.36 21.14 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.718 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -101.04 30.73 3.94 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.976 0.417 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -96.19 -41.66 8.58 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.179 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.0 ppt_? -121.74 1.85 10.0 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.869 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 40.56 -157.63 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.953 1.301 . . . . 0.0 113.714 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.404 ' HA3' ' HG ' ' A' ' 39' ' ' LEU . . . -172.22 -159.33 18.41 Favored Glycine 0 C--N 1.345 1.028 0 C-N-CA 121.058 -0.591 . . . . 0.0 112.561 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -122.44 157.1 32.68 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 122.436 0.294 . . . . 0.0 110.619 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -155.95 151.51 21.9 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.931 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -72.39 132.24 18.88 Favored 'Trans proline' 0 C--N 1.367 1.547 0 C-N-CA 122.255 1.97 . . . . 0.0 111.614 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 92.1 p -63.78 -23.19 67.26 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.404 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.2 p -65.88 -23.16 66.59 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.5 pt -95.35 -1.33 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.8 m -120.64 140.81 43.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 121.043 0.449 . . . . 0.0 111.987 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -112.22 112.39 23.96 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.011 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.2 mp0 -88.64 116.73 27.1 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.822 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -115.09 -27.98 7.14 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.562 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -135.25 140.46 45.24 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.2 m -106.72 124.55 49.78 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.442 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.49 HD11 ' HB2' ' A' ' 24' ' ' MET . 9.5 mt -86.48 -32.51 20.75 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.74 132.85 6.72 Favored Pre-proline 0 CA--C 1.542 0.659 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.075 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -61.27 128.88 26.37 Favored 'Trans proline' 0 C--N 1.365 1.419 0 C-N-CA 123.012 2.474 . . . . 0.0 113.707 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.433 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -101.7 89.92 0.8 Allowed Glycine 0 C--N 1.335 0.497 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -129.9 28.95 5.03 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 44.5 t -121.27 143.79 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.896 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -111.0 119.02 37.67 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.669 0.271 . . . . 0.0 111.5 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 12.6 t -127.47 135.14 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.11 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -81.07 160.82 24.4 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.569 0.223 . . . . 0.0 111.257 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 81.7 p -94.39 161.99 14.01 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.044 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -98.74 -179.61 4.35 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.726 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.29 -21.09 36.31 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.362 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -80.21 -10.86 59.77 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.988 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -79.93 -14.51 58.55 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.05 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -116.71 -36.06 4.01 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.971 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -89.58 112.09 23.2 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.274 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 2.0 p -124.54 74.06 1.3 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.783 0.801 . . . . 0.0 111.3 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 . . . . . 0 C--O 1.248 1.015 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.417 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.4 mtm . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.583 0.23 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.411 ' HA2' ' HG3' ' A' ' 108' ' ' GLN . . . 140.5 170.67 12.15 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 120.999 -0.62 . . . . 0.0 113.35 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -84.54 136.88 6.58 Favored 'Trans proline' 0 C--N 1.363 1.299 0 C-N-CA 122.875 2.383 . . . . 0.0 112.557 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.421 ' HE2' HH21 ' A' ' 37' ' ' ARG . 2.6 ppp? -151.96 159.63 32.73 Favored Pre-proline 0 CA--C 1.543 0.691 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.655 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -47.42 142.38 12.97 Favored 'Trans proline' 0 C--N 1.377 2.062 0 C-N-CA 123.082 2.521 . . . . 0.0 113.922 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -83.44 166.92 17.95 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.428 -179.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 47.3 mt -93.99 -40.95 9.83 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.39 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.28 -171.53 3.86 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.949 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -119.33 -32.37 4.39 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.597 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.607 ' HG2' ' HG3' ' A' ' 99' ' ' LYS . 98.9 mtt180 -129.21 157.98 40.31 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.972 0.415 . . . . 0.0 111.259 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.45 152.17 38.6 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.593 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -91.66 144.86 25.09 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 75.5 m -141.25 166.29 25.17 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.987 0.804 . . . . 0.0 110.228 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.82 -35.21 60.07 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.871 0.367 . . . . 0.0 110.227 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.8 p-10 -131.05 169.44 15.85 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.428 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -69.16 -13.95 62.71 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.938 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -90.58 -15.87 29.79 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.602 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 75.5 m 57.55 28.15 15.16 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.469 0.652 . . . . 0.0 110.349 -178.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.2 t -102.84 6.59 39.29 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.75 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -112.63 150.02 42.06 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.1 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -90.23 116.81 0.62 Allowed 'Trans proline' 0 C--N 1.367 1.537 0 C-N-CA 122.884 2.39 . . . . 0.0 111.996 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.8 mt -64.11 -68.41 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.986 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 p -131.94 152.67 50.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.29 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.411 ' HB3' ' NE2' ' A' ' 89' ' ' GLN . 15.1 tmm? -107.82 123.07 48.02 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.717 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -123.49 148.66 46.01 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -178.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.5 t -99.61 133.49 42.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.837 178.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.27 135.68 46.07 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.743 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.6 mt -97.32 -19.11 18.74 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.464 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -149.25 -176.04 5.22 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -90.49 150.83 21.63 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.329 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -151.38 136.9 17.79 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.527 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.5 mmt -112.32 141.93 45.44 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.282 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.01 108.98 29.63 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -78.01 -51.81 0.07 OUTLIER 'Trans proline' 0 C--N 1.368 1.576 0 C-N-CA 122.706 2.271 . . . . 0.0 112.38 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -90.25 164.71 14.28 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.442 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.1 p -64.24 -25.78 68.21 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.421 HH21 ' HE2' ' A' ' 4' ' ' MET . 40.4 ptt85 -92.57 5.78 49.65 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 -178.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -98.6 162.29 13.21 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 117.787 0.267 . . . . 0.0 110.752 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.491 HD22 HG12 ' A' ' 65' ' ' VAL . 34.0 mt -116.69 136.21 53.15 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.1 m -90.33 111.32 22.49 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.6 mt -114.48 151.24 16.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.441 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -116.19 154.98 29.1 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.202 178.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -64.18 116.75 6.27 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.548 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.81 -0.06 52.19 Favored Glycine 0 C--N 1.339 0.703 0 C-N-CA 121.089 -0.576 . . . . 0.0 114.173 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -83.12 152.15 25.43 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 117.519 0.66 . . . . 0.0 111.848 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.2 t -88.32 114.71 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.96 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.8 t -116.22 133.47 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 120.677 0.275 . . . . 0.0 111.082 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -102.76 130.25 49.67 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.801 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.8 t -94.5 125.79 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.213 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -107.87 -29.87 8.82 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.6 p -145.43 143.56 30.12 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.594 0.591 . . . . 0.0 112.594 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -119.39 110.08 16.53 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.137 178.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.8 mt -71.13 151.96 43.92 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -115.4 -133.48 0.34 Allowed 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.876 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.78 -136.35 38.45 Favored Glycine 0 C--N 1.35 1.322 0 C-N-CA 121.529 -0.367 . . . . 0.0 113.32 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -86.87 -0.7 56.93 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.618 0.246 . . . . 0.0 110.705 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -132.77 60.79 0.66 Allowed Glycine 0 C--N 1.335 0.498 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.035 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -6.22 40.28 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.3 pp -96.84 1.36 50.55 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.573 0.225 . . . . 0.0 110.93 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -96.81 122.08 39.38 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.055 0.455 . . . . 0.0 110.794 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 35.4 m0 -110.95 -178.9 3.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.619 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.408 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -163.49 163.58 35.72 Favored Glycine 0 C--N 1.333 0.415 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.21 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 161.63 -142.56 8.12 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 121.104 -0.57 . . . . 0.0 112.249 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.2 p -132.95 133.04 42.67 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.567 0.223 . . . . 0.0 110.635 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.491 HG12 HD22 ' A' ' 39' ' ' LEU . 6.5 p -92.33 127.41 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-O 121.209 0.528 . . . . 0.0 111.553 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -100.96 149.43 23.92 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.472 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.31 -15.06 0.19 Allowed Glycine 0 C--N 1.334 0.434 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.341 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -134.52 -45.61 0.75 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.906 0.384 . . . . 0.0 110.404 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.9 t80 55.88 84.38 0.08 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.986 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -125.08 -11.07 7.09 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.815 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.29 14.29 59.0 Favored Glycine 0 C--N 1.334 0.43 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.62 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -122.93 -16.39 7.09 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 122.144 0.178 . . . . 0.0 111.147 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.81 -5.57 12.63 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.899 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -135.49 33.22 3.02 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.964 0.411 . . . . 0.0 111.413 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -140.25 -0.42 1.63 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.605 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -108.35 -19.3 13.51 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 71.8 mt 56.93 104.22 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.881 0 O-C-N 124.388 1.055 . . . . 0.0 112.472 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.443 ' HA3' ' HG ' ' A' ' 39' ' ' LEU . . . -110.12 -161.4 18.49 Favored Glycine 0 C--N 1.334 0.423 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.104 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.408 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 54.9 m-85 -132.76 156.78 46.44 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 120.87 0.367 . . . . 0.0 111.123 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -156.05 150.4 19.97 Favored Pre-proline 0 CA--C 1.541 0.619 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.724 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -74.38 137.03 22.65 Favored 'Trans proline' 0 C--N 1.367 1.509 0 C-N-CA 122.388 2.059 . . . . 0.0 111.998 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 97.4 p -65.32 -20.69 66.52 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.341 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.5 t -65.78 -22.85 66.61 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.0 pt -96.67 -2.76 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.1 m -115.66 152.02 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.988 0.423 . . . . 0.0 111.888 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -124.22 110.72 15.01 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.511 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -75.18 128.64 35.94 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.9 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.59 -38.11 5.28 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.853 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.411 ' NE2' ' HB3' ' A' ' 24' ' ' MET . 0.4 OUTLIER -149.83 170.01 19.76 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -179.582 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.1 m -123.63 131.59 53.65 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.251 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.7 mt -88.4 -44.14 10.97 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.946 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -144.38 135.74 12.65 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.817 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -61.5 128.61 25.29 Favored 'Trans proline' 0 C--N 1.366 1.492 0 C-N-CA 122.991 2.461 . . . . 0.0 113.334 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -96.8 88.44 0.99 Allowed Glycine 0 C--N 1.334 0.468 0 N-CA-C 111.434 -0.667 . . . . 0.0 111.434 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -128.66 19.0 6.21 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.6 t -107.57 108.81 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -80.43 111.43 16.83 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.153 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 32.1 t -122.95 133.1 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.019 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.607 ' HG3' ' HG2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -79.34 157.73 27.61 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.173 179.789 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 71.0 p -91.98 155.27 18.25 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -106.42 -175.45 2.8 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.736 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -68.87 -35.21 76.63 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.103 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -87.88 45.72 1.31 Allowed 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.032 0.444 . . . . 0.0 112.046 -178.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -124.85 -29.68 3.36 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.508 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -122.11 38.22 4.18 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.264 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -137.71 123.42 19.89 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.856 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 56.5 m -121.93 30.81 6.47 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.411 ' HG3' ' HA2' ' A' ' 2' ' ' GLY . 79.5 mt-30 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.235 -0.888 . . . . 0.0 111.009 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.7 ttm . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.74 0.305 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.4 176.82 16.01 Favored Glycine 0 CA--C 1.523 0.553 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.709 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -82.4 130.04 6.05 Favored 'Trans proline' 0 C--N 1.362 1.249 0 C-N-CA 122.577 2.184 . . . . 0.0 112.193 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.1 ptm -145.42 157.45 52.51 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.75 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.66 168.93 3.64 Favored 'Trans proline' 0 C--N 1.374 1.891 0 C-N-CA 122.792 2.328 . . . . 0.0 113.651 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -72.46 155.17 40.39 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.829 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.1 tp -109.04 -20.51 13.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.162 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -154.06 170.55 20.86 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.53 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -99.26 -61.22 1.4 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.384 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -125.37 164.25 20.81 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.24 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.7 pttt -143.85 166.38 25.09 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.674 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' A' ' 51' ' ' SER . 3.7 mm? -98.07 129.07 44.92 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.767 178.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 78.6 m -133.01 171.9 13.35 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.841 0.713 . . . . 0.0 110.64 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.454 ' HB2' ' HG2' ' A' ' 92' ' ' LYS . . . -81.23 -33.59 32.76 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.438 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -139.8 173.97 10.99 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.825 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -66.13 -17.14 64.52 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.666 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -89.51 -19.28 25.24 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 91.0 m 58.34 26.71 14.36 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.428 0.632 . . . . 0.0 109.797 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.2 t -95.91 -12.92 24.38 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.626 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -95.33 150.55 37.74 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.773 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -90.88 124.35 0.95 Allowed 'Trans proline' 0 C--N 1.367 1.52 0 C-N-CA 122.897 2.398 . . . . 0.0 111.954 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.2 mt -66.97 -62.56 1.19 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.003 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.1 t -141.92 144.41 33.76 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.997 0.427 . . . . 0.0 111.814 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.5 tmm? -89.18 114.93 26.28 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.21 147.36 39.07 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -178.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.9 t -97.13 139.35 19.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.136 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.44 138.24 34.45 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.235 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 mp -99.7 -39.08 8.43 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.413 ' HA ' ' HB3' ' A' ' 43' ' ' ARG . 1.5 pt20 -138.55 168.14 20.42 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -71.8 153.56 41.86 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.349 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -151.58 125.73 9.27 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.169 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -101.6 131.31 47.87 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.164 0.29 . . . . 0.0 110.237 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.63 124.31 36.62 Favored Pre-proline 0 CA--C 1.533 0.327 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -78.14 -61.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.366 1.458 0 C-N-CA 122.694 2.263 . . . . 0.0 112.09 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -91.31 165.62 13.34 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.472 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.0 t -64.22 -22.82 67.08 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.318 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -61.42 -24.39 66.49 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.988 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -109.59 166.88 10.56 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.609 0.242 . . . . 0.0 111.222 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.436 ' HG ' ' HA3' ' A' ' 78' ' ' GLY . 28.1 mt -116.62 136.43 52.98 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.151 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 53.2 m -88.78 108.23 19.39 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.453 HG12 HG23 ' A' ' 65' ' ' VAL . 53.4 mt -110.24 139.05 35.35 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -176.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 54.9 m170 -103.99 137.17 42.35 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 177.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.413 ' HB3' ' HA ' ' A' ' 29' ' ' GLN . 9.4 ptm180 -60.56 132.37 53.68 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.143 0.497 . . . . 0.0 112.161 -178.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.55 -14.33 59.28 Favored Glycine 0 C--N 1.336 0.574 0 CA-C-N 115.418 -0.81 . . . . 0.0 113.158 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -78.28 166.16 23.03 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.019 0.438 . . . . 0.0 111.854 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 t -96.99 121.16 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.963 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.1 t -119.81 121.79 67.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 O-C-N 123.125 0.266 . . . . 0.0 110.354 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -92.25 125.95 37.13 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.809 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.3 t -87.91 129.15 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.067 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -112.27 -33.81 6.1 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.457 ' HA ' ' O ' ' A' ' 12' ' ' LEU . 71.0 p -147.05 150.01 34.22 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -178.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -119.22 115.71 24.77 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.364 -0.835 . . . . 0.0 108.763 177.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.4 mt -66.83 148.46 51.9 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -116.51 -27.47 6.73 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.522 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -67.9 -111.12 0.02 OUTLIER Glycine 0 C--N 1.339 0.734 0 N-CA-C 113.954 0.341 . . . . 0.0 113.954 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -86.94 12.2 11.74 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.777 0.322 . . . . 0.0 110.928 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -124.4 58.96 0.64 Allowed Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.058 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -55.5 -53.19 59.48 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.057 0.456 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.3 mt -97.99 18.14 16.67 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.076 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -111.26 124.59 52.53 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.37 0.605 . . . . 0.0 111.353 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 45.2 m0 -109.46 -171.37 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.091 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -163.15 163.3 35.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.395 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 164.8 -144.09 9.06 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 112.121 -0.392 . . . . 0.0 112.121 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.1 m -140.78 142.01 34.74 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.692 0.282 . . . . 0.0 110.407 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.453 HG23 HG12 ' A' ' 41' ' ' ILE . 43.5 t -90.5 131.74 36.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.321 -179.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -129.85 96.64 4.27 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.437 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -126.46 -36.53 0.52 Allowed Glycine 0 C--N 1.334 0.436 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.153 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -148.0 -22.41 0.35 Allowed 'General case' 0 C--O 1.235 0.337 0 O-C-N 123.719 0.305 . . . . 0.0 110.18 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.2 t80 76.92 -45.74 0.49 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.005 1.322 . . . . 0.0 113.021 178.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 57.72 16.51 3.53 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.392 0.677 . . . . 0.0 112.314 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.34 -42.35 2.36 Favored Glycine 0 C--N 1.337 0.6 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.235 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -140.94 110.14 6.22 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 122.492 0.317 . . . . 0.0 110.605 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.8 tp -155.49 -46.02 0.08 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.272 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.84 23.52 7.03 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.128 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.81 -46.44 36.75 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.922 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.94 154.58 21.96 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.832 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.76 133.39 34.72 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.231 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.436 ' HA3' ' HG ' ' A' ' 39' ' ' LEU . . . -128.19 179.62 16.43 Favored Glycine 0 C--N 1.337 0.62 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.027 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -126.35 157.42 38.51 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.891 0.346 . . . . 0.0 111.092 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -154.6 153.96 28.59 Favored Pre-proline 0 CA--C 1.542 0.657 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.236 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo -72.36 137.2 27.84 Favored 'Trans proline' 0 C--N 1.369 1.626 0 C-N-CA 122.397 2.065 . . . . 0.0 112.092 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 93.7 p -64.69 -23.4 67.24 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.674 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.4 m -65.62 -18.63 65.46 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.9 pt -101.97 0.98 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.9 m -122.84 155.5 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-O 120.813 0.339 . . . . 0.0 111.565 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 53.0 ttt85 -133.64 108.42 8.55 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.474 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -67.97 124.12 22.51 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.394 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -111.03 -47.24 3.23 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.584 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -138.78 129.11 25.73 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.2 m -83.79 122.01 28.09 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.698 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.5 mt -86.05 -29.75 23.17 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.169 -178.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.454 ' HG2' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -155.54 132.78 6.38 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.031 -179.688 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -60.46 125.97 18.77 Favored 'Trans proline' 0 C--N 1.366 1.472 0 C-N-CA 123.075 2.517 . . . . 0.0 113.684 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -97.58 93.3 1.4 Allowed Glycine 0 C--N 1.335 0.481 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.246 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -137.61 29.09 2.66 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -178.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.7 t -124.03 115.06 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.149 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -85.36 116.72 23.85 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.457 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 16.7 t -128.62 137.98 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.107 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.9 pptp? -78.38 168.17 20.22 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.88 -0.145 . . . . 0.0 111.205 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 76.5 p -91.55 146.52 23.72 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.838 0.352 . . . . 0.0 111.304 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -101.59 -174.92 2.71 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.478 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.57 -16.1 52.7 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -81.0 -8.88 59.88 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.728 0.299 . . . . 0.0 110.813 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -80.55 -22.19 41.05 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.598 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -126.85 35.05 4.67 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.78 0.324 . . . . 0.0 110.879 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -137.6 107.27 6.21 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.406 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 86.5 m -113.36 34.42 4.53 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.137 -179.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.627 179.896 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.64 0.257 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 120.88 174.34 14.99 Favored Glycine 0 CA--C 1.524 0.649 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.698 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -77.25 142.55 21.53 Favored 'Trans proline' 0 C--N 1.362 1.256 0 C-N-CA 122.567 2.178 . . . . 0.0 112.514 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.466 ' HE2' ' HD2' ' A' ' 37' ' ' ARG . 13.0 ptm -154.67 163.76 23.21 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.439 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -45.36 143.73 5.24 Favored 'Trans proline' 0 C--N 1.381 2.246 0 C-N-CA 122.813 2.342 . . . . 0.0 113.568 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 7' ' ' LEU . 28.9 mtpp -78.39 -12.43 60.0 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.594 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 6' ' ' LYS . 4.0 mm? 76.42 -48.32 0.56 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.225 1.01 . . . . 0.0 110.943 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.85 -160.16 1.09 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.041 0.536 . . . . 0.0 110.074 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -125.91 -38.86 2.15 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 120.448 0.166 . . . . 0.0 111.134 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.416 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 8.0 mpt_? -122.52 162.17 22.26 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.761 0.315 . . . . 0.0 111.264 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -132.15 168.49 17.92 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.329 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 51' ' ' SER . 73.6 mt -115.94 131.73 56.85 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.333 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 71.7 m -132.98 168.66 18.07 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 123.504 0.502 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.444 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -76.15 -37.1 58.38 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.088 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -139.6 174.01 10.95 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.818 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -67.56 -9.86 46.54 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -91.45 -21.33 20.99 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 111.49 0.181 . . . . 0.0 111.49 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.6 m 57.96 31.73 21.0 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.691 0.758 . . . . 0.0 109.793 -177.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.9 t -100.03 -13.64 18.97 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.845 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -98.48 153.4 38.0 Favored Pre-proline 0 CA--C 1.537 0.477 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.933 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -92.64 130.67 0.95 Allowed 'Trans proline' 0 C--N 1.37 1.661 0 C-N-CA 122.946 2.43 . . . . 0.0 112.027 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.2 mt -73.75 -62.48 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.109 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.4 p -139.64 148.81 42.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.933 0.397 . . . . 0.0 111.921 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -98.52 119.29 36.97 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.959 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.49 149.99 41.54 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.5 t -100.07 134.75 38.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.622 178.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.22 132.64 44.36 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.794 0.33 . . . . 0.0 111.346 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.402 HD13 ' HB2' ' A' ' 86' ' ' ARG . 83.8 mt -94.01 -24.62 17.57 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.737 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -149.25 -174.93 4.79 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -91.17 151.21 21.05 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.436 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -151.41 136.69 17.6 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.343 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.4 mmt -116.1 137.33 52.22 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.235 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.526 ' H ' ' HG1' ' A' ' 40' ' ' THR . . . -99.96 110.41 59.25 Favored Pre-proline 0 CA--C 1.535 0.39 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -178.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -74.47 -55.02 0.09 OUTLIER 'Trans proline' 0 C--N 1.363 1.326 0 C-N-CA 122.408 2.072 . . . . 0.0 111.515 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -91.44 161.77 14.85 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.775 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.4 p -61.39 -26.21 67.7 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.804 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.466 ' HD2' ' HE2' ' A' ' 4' ' ' MET . 1.9 tmt_? -68.68 -29.5 67.96 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.528 -178.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -89.94 168.81 11.74 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.452 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.513 ' HB2' ' HA3' ' A' ' 78' ' ' GLY . 57.7 tp -125.17 136.88 54.03 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.419 -179.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.526 ' HG1' ' H ' ' A' ' 33' ' ' ALA . 28.6 m -89.37 121.89 32.07 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 70.5 mt -127.73 147.19 32.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.164 -178.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -112.88 152.51 29.19 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.199 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.9 ttp85 -62.93 120.93 12.29 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.639 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.92 -7.34 57.25 Favored Glycine 0 C--N 1.338 0.674 0 C-N-CA 120.99 -0.624 . . . . 0.0 114.102 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -79.94 152.41 29.57 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 117.49 0.645 . . . . 0.0 111.694 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.9 t -87.48 122.79 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.761 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.45 124.22 64.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 120.684 0.278 . . . . 0.0 111.218 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -95.11 128.55 42.03 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.184 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.8 t -92.0 127.58 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.254 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -108.13 -33.23 7.22 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.832 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 12' ' ' LEU . 61.4 p -136.83 142.33 42.87 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -179.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.3 mttm -125.77 111.01 14.39 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.121 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.453 ' O ' ' HA ' ' A' ' 58' ' ' ARG . 83.8 mt -68.72 156.66 37.84 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -178.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -140.42 153.96 46.5 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.74 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.93 -104.79 1.7 Allowed Glycine 0 C--N 1.335 0.502 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.869 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -85.77 -24.66 26.77 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.465 0.174 . . . . 0.0 111.053 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -132.07 58.08 0.71 Allowed Glycine 0 C--N 1.336 0.538 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.666 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.453 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -72.22 -12.79 61.32 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 179.77 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.5 mt -90.01 5.21 47.58 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -110.59 119.06 37.94 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.143 0.497 . . . . 0.0 111.261 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -111.85 -175.67 2.75 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.405 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.4 158.07 30.58 Favored Glycine 0 C--N 1.338 0.665 0 C-N-CA 120.69 -0.767 . . . . 0.0 113.048 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 172.89 -148.72 10.69 Favored Glycine 0 C--N 1.337 0.607 0 C-N-CA 121.481 -0.39 . . . . 0.0 112.681 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.451 ' HB2' ' HA ' ' A' ' 74' ' ' ALA . 88.6 p -128.35 164.17 23.23 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 122.36 0.264 . . . . 0.0 110.561 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 60.3 t -112.39 121.16 64.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-O 120.779 0.324 . . . . 0.0 111.611 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -92.99 139.04 30.94 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.025 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 145.1 -48.62 0.7 Allowed Glycine 0 C--N 1.334 0.441 0 C-N-CA 121.047 -0.596 . . . . 0.0 112.661 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -115.19 132.46 56.6 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.635 0.255 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -138.27 77.11 1.61 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.302 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -121.08 -14.34 8.42 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.8 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -172.53 95.03 0.1 Allowed Glycine 0 C--N 1.332 0.338 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.168 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 61.2 -90.25 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.694 0.798 . . . . 0.0 111.618 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.36 -80.08 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.059 0.944 . . . . 0.0 112.102 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.451 ' HA ' ' HB2' ' A' ' 64' ' ' SER . . . -77.07 -14.33 59.83 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.14 -35.97 78.94 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.786 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -97.92 153.98 17.97 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.243 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.3 mt -117.96 123.36 45.58 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.025 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.513 ' HA3' ' HB2' ' A' ' 39' ' ' LEU . . . -114.96 175.01 15.69 Favored Glycine 0 C--N 1.334 0.421 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.758 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -122.72 144.71 48.98 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.09 0.472 . . . . 0.0 111.314 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -147.48 156.05 45.65 Favored Pre-proline 0 CA--C 1.541 0.617 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.221 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.05 139.47 35.84 Favored 'Trans proline' 0 C--N 1.367 1.539 0 C-N-CA 122.18 1.92 . . . . 0.0 111.424 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.8 p -63.14 -21.82 66.45 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.788 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.4 p -65.66 -21.43 66.55 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 27.7 pt -91.56 -1.68 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.0 m -125.14 154.0 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.402 ' HB2' HD13 ' A' ' 28' ' ' LEU . 67.3 ttt-85 -125.27 116.51 22.07 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.718 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -78.88 122.15 25.75 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.399 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -105.7 -36.97 6.89 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.286 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -147.7 141.66 25.89 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.8 m -98.34 123.83 42.66 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 177.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.2 mt -84.86 -39.16 18.6 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -177.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -152.91 135.24 9.06 Favored Pre-proline 0 CA--C 1.544 0.722 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -53.73 134.55 59.09 Favored 'Trans proline' 0 C--N 1.372 1.763 0 C-N-CA 123.587 2.858 . . . . 0.0 114.364 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.444 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -110.73 87.14 0.46 Allowed Glycine 0 C--N 1.335 0.488 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 178.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.9 ptpp? -130.24 34.82 4.16 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.8 t -122.42 107.54 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 120.894 0.378 . . . . 0.0 110.005 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -84.32 120.75 26.62 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.194 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.54 129.79 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.248 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.416 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 9.8 mtmp? -79.09 152.13 31.01 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.325 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.3 p -95.51 161.33 14.11 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.574 0.226 . . . . 0.0 110.986 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -119.34 -173.65 2.56 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.126 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -70.29 -35.31 73.62 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.975 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -94.38 56.64 2.17 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.386 0.612 . . . . 0.0 111.312 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.76 -51.13 1.59 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.84 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -118.84 63.44 0.78 Allowed 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.076 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -150.5 102.05 3.01 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.233 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 69.8 m -94.79 93.78 7.69 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.669 178.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.702 -179.37 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.1 mtp . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 121.121 0.486 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.95 172.87 38.29 Favored Glycine 0 CA--C 1.524 0.6 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.874 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -81.18 129.73 6.94 Favored 'Trans proline' 0 C--N 1.361 1.227 0 C-N-CA 122.624 2.216 . . . . 0.0 112.33 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.44 ' HE3' HH21 ' A' ' 37' ' ' ARG . 2.8 ppp? -144.32 158.62 54.27 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.746 -179.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -50.86 144.73 26.17 Favored 'Trans proline' 0 C--N 1.377 2.033 0 C-N-CA 123.283 2.656 . . . . 0.0 113.83 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -89.59 172.87 8.65 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.222 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -93.19 -43.9 8.61 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.61 -159.46 1.02 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.204 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -123.61 -34.56 3.04 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.767 -0.197 . . . . 0.0 111.189 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -126.06 159.86 31.63 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.086 0.47 . . . . 0.0 111.871 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.3 pttt -136.79 171.45 14.48 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.643 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.442 HD23 ' HZ1' ' A' ' 54' ' ' LYS . 4.1 mm? -110.18 127.62 55.03 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.082 178.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 75.2 m -134.04 166.83 21.82 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.606 0.566 . . . . 0.0 110.187 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.419 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -76.56 -39.0 54.06 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.014 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -129.5 172.11 11.89 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.381 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -68.26 -18.56 64.57 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.67 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -88.54 -20.89 24.47 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.268 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.4 t 58.05 29.16 17.36 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 124.146 0.903 . . . . 0.0 109.49 -178.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 t -92.75 -5.14 51.87 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.185 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -101.76 148.03 34.7 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.48 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -89.7 120.38 0.94 Allowed 'Trans proline' 0 C--N 1.367 1.529 0 C-N-CA 122.693 2.262 . . . . 0.0 111.454 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 60.4 mt -64.6 -65.71 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.435 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.8 m -141.24 146.57 37.02 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.119 0.485 . . . . 0.0 112.143 -178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -93.47 123.55 36.85 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.462 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.412 ' HB3' ' HB ' ' A' ' 85' ' ' VAL . . . -120.19 148.11 44.07 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.913 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.9 t -98.02 137.64 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.457 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.74 133.16 35.62 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.488 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 mp -100.25 -16.79 17.61 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -151.9 173.59 14.62 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -80.64 148.85 30.07 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.157 -0.928 . . . . 0.0 111.524 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -152.02 138.76 18.84 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.611 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.0 mmm -115.21 142.19 47.0 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.348 0.405 . . . . 0.0 110.077 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.2 108.66 25.68 Favored Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -81.01 -49.37 0.06 OUTLIER 'Trans proline' 0 C--N 1.365 1.435 0 C-N-CA 122.678 2.252 . . . . 0.0 112.479 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -90.39 164.17 14.41 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.4 t -61.45 -35.68 78.27 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.54 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.44 HH21 ' HE3' ' A' ' 4' ' ' MET . 42.9 ptt85 -88.09 12.36 13.77 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -178.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -103.68 161.07 14.22 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.609 0.243 . . . . 0.0 111.118 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.421 ' HG ' ' HA3' ' A' ' 78' ' ' GLY . 36.5 mt -118.95 143.35 47.08 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 48.3 m -95.71 116.87 29.5 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.0 mt -122.31 132.53 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.084 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -94.01 157.76 15.95 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.794 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -63.96 115.12 4.58 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.573 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.61 7.49 53.62 Favored Glycine 0 C--N 1.339 0.7 0 C-N-CA 121.005 -0.617 . . . . 0.0 114.257 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -83.44 150.86 25.78 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 117.877 0.838 . . . . 0.0 112.046 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 56.2 t -86.14 120.17 35.55 Favored 'Isoleucine or valine' 0 C--O 1.23 0.042 0 CA-C-N 114.993 -1.003 . . . . 0.0 108.956 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.0 t -123.72 125.87 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.697 0.284 . . . . 0.0 111.21 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -91.92 123.79 35.55 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.672 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.2 t -90.36 124.45 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.326 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -107.32 -35.9 6.67 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.076 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.8 p -140.48 144.38 36.0 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -178.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -124.46 110.64 14.76 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.205 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.5 mt -71.69 154.35 41.42 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HZ1' HD23 ' A' ' 12' ' ' LEU . 37.0 mtmm -112.18 -134.49 0.35 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.692 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 60.54 -143.5 47.93 Favored Glycine 0 C--N 1.351 1.397 0 N-CA-C 114.117 0.407 . . . . 0.0 114.117 179.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -77.81 -22.75 49.57 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.324 -0.438 . . . . 0.0 111.259 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -113.34 52.44 0.64 Allowed Glycine 0 C--N 1.335 0.497 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.927 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.6 ptt-85 -72.44 -6.92 46.97 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 75.8 mt -87.22 -2.2 58.45 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.308 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -98.75 119.44 37.5 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 121.417 0.627 . . . . 0.0 111.548 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 33.3 m0 -106.26 -175.31 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.035 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.402 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -166.54 164.93 38.04 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.804 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 157.36 -145.25 11.65 Favored Glycine 0 C--N 1.335 0.525 0 C-N-CA 121.511 -0.376 . . . . 0.0 112.215 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 97.7 p -126.84 162.68 25.33 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.6 p -117.33 130.83 71.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-O 121.394 0.616 . . . . 0.0 112.265 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -85.1 167.33 15.87 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.177 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.73 112.52 2.28 Favored Glycine 0 C--N 1.334 0.471 0 CA-C-N 115.93 -0.577 . . . . 0.0 113.341 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 62.34 107.93 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.903 0.881 . . . . 0.0 112.843 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -108.47 96.16 6.16 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.138 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -90.55 -7.72 52.14 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.783 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 151.14 -90.79 0.13 Allowed Glycine 0 C--N 1.334 0.455 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.699 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -94.02 103.82 15.88 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.754 0.311 . . . . 0.0 110.909 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.8 tp -151.78 -50.35 0.11 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.757 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.3 -16.15 22.63 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.123 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.44 -35.32 75.56 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.515 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.1 148.35 26.92 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.088 179.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.5 mt -110.32 133.05 53.64 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.57 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.421 ' HA3' ' HG ' ' A' ' 39' ' ' LEU . . . -122.45 -167.75 13.06 Favored Glycine 0 C--N 1.335 0.488 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.805 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.402 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 40.7 m-85 -130.81 156.78 44.41 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.836 0.351 . . . . 0.0 111.05 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -153.74 150.19 22.55 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.753 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.59 135.62 22.25 Favored 'Trans proline' 0 C--N 1.365 1.443 0 C-N-CA 122.285 1.99 . . . . 0.0 111.772 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.9 p -64.82 -20.04 66.18 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.719 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.3 p -66.43 -19.58 65.83 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 28.3 pt -96.78 -3.59 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.412 ' HB ' ' HB3' ' A' ' 25' ' ' ALA . 26.2 m -120.06 162.5 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 121.172 0.51 . . . . 0.0 112.042 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -134.88 115.58 13.78 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.633 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -79.23 144.89 33.95 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.271 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -146.84 -30.86 0.35 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.565 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -135.77 141.05 44.75 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 49.6 m -107.17 124.12 49.26 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.799 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.0 mt -87.83 -22.59 24.39 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.846 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -167.06 129.23 1.33 Allowed Pre-proline 0 CA--C 1.542 0.645 0 O-C-N 123.526 0.517 . . . . 0.0 110.152 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -54.28 123.76 14.37 Favored 'Trans proline' 0 C--N 1.371 1.751 0 C-N-CA 122.452 2.101 . . . . 0.0 113.401 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.419 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -104.98 93.19 0.9 Allowed Glycine 0 C--N 1.335 0.519 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 178.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.55 33.08 2.04 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.6 t -121.51 112.09 33.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.088 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -78.67 118.66 20.97 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.264 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 16.2 t -125.27 132.13 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.944 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -74.47 160.71 30.6 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.641 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.8 p -100.88 167.99 9.93 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.641 0.258 . . . . 0.0 110.612 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -119.33 -179.57 3.89 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.494 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -77.51 -27.17 51.7 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.344 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -74.11 -17.15 60.98 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.239 0.337 . . . . 0.0 111.151 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -78.08 -21.19 50.92 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.404 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -129.59 47.22 2.52 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.453 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -150.4 117.98 6.13 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.945 0.402 . . . . 0.0 111.172 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 75.8 m -114.97 156.82 24.35 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.691 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.679 179.497 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.583 0.23 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 151.6 168.56 16.18 Favored Glycine 0 C--N 1.335 0.517 0 CA-C-O 119.476 -0.625 . . . . 0.0 112.458 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.477 ' HA ' HH22 ' A' ' 37' ' ' ARG . 21.3 Cg_endo -90.23 130.44 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 122.888 2.392 . . . . 0.0 113.222 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.622 ' HE3' ' HD2' ' A' ' 37' ' ' ARG . 13.3 ptt? -138.22 171.66 7.96 Favored Pre-proline 0 CA--C 1.549 0.933 0 CA-C-O 118.379 -0.819 . . . . 0.0 109.166 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -46.23 139.12 12.53 Favored 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 122.474 2.116 . . . . 0.0 113.57 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -63.48 -24.99 68.06 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.356 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.4 mt 77.64 -46.04 0.46 Allowed 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.323 1.049 . . . . 0.0 111.568 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -143.56 169.87 16.9 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 122.488 0.315 . . . . 0.0 110.744 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -109.52 -42.51 4.3 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.374 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.454 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 1.7 mpp_? -125.33 155.53 40.12 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.093 0.473 . . . . 0.0 111.438 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -130.45 162.89 28.16 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.427 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.541 HD21 ' HG2' ' A' ' 54' ' ' LYS . 2.7 mm? -114.2 119.51 37.3 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.254 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.402 ' HA ' HD11 ' A' ' 22' ' ' ILE . 61.4 m -120.18 175.85 5.74 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.331 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.434 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -87.66 -21.45 25.26 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.302 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -143.38 170.51 15.65 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.446 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -67.37 -23.02 65.55 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -88.77 -17.74 29.19 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.46 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.2 t 58.45 26.22 13.93 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 124.047 0.842 . . . . 0.0 109.767 -178.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.6 t -93.65 -4.07 51.32 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 114.496 -1.229 . . . . 0.0 110.726 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -98.13 147.52 33.2 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.469 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -93.15 121.04 0.42 Allowed 'Trans proline' 0 C--N 1.365 1.412 0 C-N-CA 122.92 2.413 . . . . 0.0 112.098 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.402 HD11 ' HA ' ' A' ' 13' ' ' CYS . 49.9 mt -69.68 -66.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.511 -179.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.7 p -132.49 140.23 48.28 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.197 0.522 . . . . 0.0 112.369 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.5 ttp -91.96 114.0 26.43 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.656 178.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.96 141.85 49.29 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.4 t -93.97 133.68 34.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.315 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.01 128.96 38.13 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.96 0.409 . . . . 0.0 111.559 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.6 mt -90.97 -22.33 20.87 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.41 -0.813 . . . . 0.0 112.449 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -150.2 -174.82 4.84 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -91.6 154.26 19.17 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.082 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -151.19 134.0 15.74 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.634 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 93.6 mtp -109.65 130.04 55.54 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.576 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.84 119.14 67.27 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.88 -64.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.365 1.442 0 C-N-CA 122.65 2.233 . . . . 0.0 111.775 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -91.38 167.75 12.06 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.809 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.6 p -65.84 -15.15 62.65 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.622 ' HD2' ' HE3' ' A' ' 4' ' ' MET . 65.5 mtt85 -75.75 -27.77 58.23 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.315 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -89.96 162.3 15.47 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.648 0.261 . . . . 0.0 110.969 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.52 HD23 HG23 ' A' ' 65' ' ' VAL . 66.2 tp -119.67 136.79 54.26 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.659 -178.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.4 m -88.77 123.27 33.02 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.7 mt -127.87 144.24 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.641 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -108.97 151.54 26.18 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.377 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -63.76 121.63 14.46 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.496 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.83 -11.44 52.94 Favored Glycine 0 C--N 1.338 0.664 0 C-N-CA 121.036 -0.602 . . . . 0.0 113.769 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -78.2 149.38 33.71 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 117.196 0.498 . . . . 0.0 111.806 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.3 t -86.5 123.41 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.464 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.525 HG11 HG21 ' A' ' 65' ' ' VAL . 8.8 t -121.04 121.8 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 111.33 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -91.2 124.19 35.22 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.971 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.407 HG11 ' HZ1' ' A' ' 52' ' ' LYS . 26.7 t -88.35 131.49 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -112.04 -36.61 5.32 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.9 p -140.56 146.85 38.59 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.407 ' HZ1' HG11 ' A' ' 49' ' ' VAL . 37.0 mttm -121.9 116.18 23.92 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.3 mt -72.6 142.96 48.38 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.541 ' HG2' HD21 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -130.37 158.23 40.42 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.005 179.066 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.87 -102.13 1.35 Allowed Glycine 0 C--N 1.335 0.512 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.172 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -89.91 -17.04 28.73 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.677 0.275 . . . . 0.0 110.59 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.66 60.34 0.68 Allowed Glycine 0 C--N 1.337 0.619 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.993 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.2 tpt85 -68.78 -22.63 64.27 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 122.634 0.373 . . . . 0.0 111.349 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 73.4 mt -90.94 -1.06 57.87 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.413 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -101.13 125.88 47.79 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.103 0.477 . . . . 0.0 111.455 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -112.06 -173.41 2.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.402 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -164.99 154.05 24.61 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.767 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 170.47 -150.57 14.56 Favored Glycine 0 C--N 1.337 0.589 0 C-N-CA 121.315 -0.469 . . . . 0.0 112.437 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.5 t -142.69 146.79 34.75 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.577 0.227 . . . . 0.0 110.75 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.525 HG21 HG11 ' A' ' 47' ' ' VAL . 98.4 t -88.86 133.02 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.206 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -91.35 -85.17 0.24 Allowed 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 76.22 -73.98 1.72 Allowed Glycine 0 C--N 1.346 1.113 0 C-N-CA 121.563 -0.351 . . . . 0.0 112.46 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -127.65 -22.53 3.58 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.5 t80 66.85 -78.97 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 114.437 -1.256 . . . . 0.0 112.834 178.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 28.9 p90 45.56 26.47 0.32 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.872 1.269 . . . . 0.0 113.976 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.62 -63.81 3.23 Favored Glycine 0 C--N 1.34 0.75 0 C-N-CA 121.389 -0.434 . . . . 0.0 114.006 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -65.88 167.49 9.47 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 122.619 0.368 . . . . 0.0 111.531 -178.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.3 tm? 85.38 -47.05 0.07 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.312 1.445 . . . . 0.0 111.129 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.27 40.18 0.94 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.059 0.457 . . . . 0.0 111.624 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.41 -13.9 31.54 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.617 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.58 168.35 19.94 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.565 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.3 mt -115.47 129.21 56.48 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.217 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -113.86 -175.19 18.97 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.002 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -129.94 144.86 51.54 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.773 0.32 . . . . 0.0 110.671 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -148.09 151.25 37.29 Favored Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.016 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.51 137.91 31.42 Favored 'Trans proline' 0 C--N 1.366 1.48 0 C-N-CA 122.194 1.929 . . . . 0.0 111.443 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 93.2 p -64.8 -19.19 65.7 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.721 0.296 . . . . 0.0 111.642 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.0 p -66.61 -19.62 65.81 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 29.3 pt -95.82 -1.38 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.4 m -119.63 159.05 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 53.5 ttt85 -125.54 110.1 13.46 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.708 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -79.19 130.9 35.95 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.3 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -130.08 -31.81 1.87 Allowed 'General case' 0 C--O 1.234 0.25 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -141.79 139.55 32.8 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.925 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.2 m -100.05 125.04 46.07 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.0 mt -86.94 -24.83 24.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.599 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.414 ' NZ ' ' HB2' ' A' ' 92' ' ' LYS . 1.1 ttmp? -170.97 131.01 0.81 Allowed Pre-proline 0 N--CA 1.471 0.579 0 O-C-N 123.614 0.571 . . . . 0.0 110.09 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -54.73 133.85 59.52 Favored 'Trans proline' 0 C--N 1.368 1.598 0 C-N-CA 123.088 2.525 . . . . 0.0 114.154 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.434 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -104.07 86.8 0.53 Allowed Glycine 0 C--N 1.337 0.599 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 178.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -123.87 27.9 7.07 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 37.2 t -117.31 139.32 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -112.29 120.76 42.83 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.848 0.356 . . . . 0.0 111.129 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.72 129.82 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.159 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.454 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 7.2 mtpm? -79.56 158.74 27.08 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.394 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 58.8 p -110.9 159.38 17.75 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.717 0.294 . . . . 0.0 111.159 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -122.49 -175.45 3.14 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.754 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -15.41 61.45 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -178.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -83.09 -2.64 55.92 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.562 0.22 . . . . 0.0 111.106 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.71 -26.14 15.28 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.407 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -124.57 60.77 1.16 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.185 0.517 . . . . 0.0 111.364 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -151.86 131.19 12.85 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -125.92 28.95 6.01 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -177.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.034 179.148 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.564 0.221 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 113.15 -179.41 19.06 Favored Glycine 0 C--N 1.337 0.592 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.412 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -78.74 130.97 9.97 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 122.399 2.066 . . . . 0.0 112.156 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.427 ' HE3' ' HD2' ' A' ' 37' ' ' ARG . 3.0 ppp? -138.69 166.42 25.36 Favored Pre-proline 0 CA--C 1.547 0.849 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.616 -178.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 4' ' ' MET . 3.5 Cg_endo -44.68 147.27 1.84 Allowed 'Trans proline' 0 C--N 1.383 2.361 0 C-N-CA 123.466 2.778 . . . . 0.0 113.769 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 7' ' ' LEU . 9.7 mtmp? -75.65 -24.73 56.41 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.871 -178.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.459 HD23 ' NH1' ' A' ' 37' ' ' ARG . 3.7 mm? 78.44 -50.92 0.48 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.466 1.106 . . . . 0.0 110.605 -177.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.4 -166.22 2.48 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.62 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -121.23 -42.19 2.48 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.477 0.18 . . . . 0.0 111.424 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.439 ' HG2' ' HG3' ' A' ' 99' ' ' LYS . 99.3 mtt180 -126.54 161.83 27.08 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.082 0.468 . . . . 0.0 111.528 -179.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -129.63 174.13 9.97 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.477 -179.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.8 mt -119.47 114.43 22.28 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.88 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 60.2 m -121.84 171.71 8.7 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.591 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.453 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -80.18 -42.45 23.34 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -126.06 174.25 8.6 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -67.04 -19.79 65.74 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.336 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -88.63 -19.11 26.66 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.608 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.7 t 59.1 27.04 15.88 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 124.043 0.84 . . . . 0.0 109.684 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.6 t -102.73 41.41 1.25 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-N 114.528 -1.214 . . . . 0.0 109.756 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -142.64 143.17 25.13 Favored Pre-proline 0 CA--C 1.537 0.445 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.355 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -90.02 116.68 0.64 Allowed 'Trans proline' 0 C--N 1.365 1.424 0 C-N-CA 122.618 2.212 . . . . 0.0 111.762 179.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.5 mt -65.61 -65.57 0.56 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.108 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.418 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.5 m -138.54 144.56 39.97 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.026 0.441 . . . . 0.0 112.153 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -90.75 113.84 26.04 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.87 146.95 39.27 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.7 t -94.72 139.66 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.979 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.24 134.22 33.85 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mp -110.74 -0.3 17.11 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -178.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -142.82 170.39 15.79 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -96.06 137.3 35.34 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 114.262 -1.336 . . . . 0.0 109.296 177.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -150.74 143.13 24.31 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.707 0.289 . . . . 0.0 111.244 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.2 mmm -113.49 142.13 46.29 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.05 178.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.62 112.46 39.92 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.99 -58.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.364 1.351 0 C-N-CA 122.589 2.193 . . . . 0.0 112.285 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -91.45 169.0 11.13 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.454 0.645 . . . . 0.0 112.497 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 38.1 t -61.03 -24.78 66.43 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 114.508 -1.224 . . . . 0.0 114.083 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.459 ' NH1' HD23 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -102.38 15.94 27.7 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -178.418 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -109.07 162.91 13.8 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.04 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.559 ' HG ' ' HA3' ' A' ' 78' ' ' GLY . 37.9 mt -113.1 148.33 35.5 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -178.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.3 m -99.57 111.59 23.92 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 177.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 64.9 mt -110.56 152.55 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.904 -178.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -118.89 150.29 40.12 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.018 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -63.21 102.21 0.37 Allowed 'General case' 0 CA--C 1.535 0.373 0 O-C-N 123.412 0.445 . . . . 0.0 110.752 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.16 16.94 9.21 Favored Glycine 0 C--N 1.341 0.839 0 CA-C-N 115.908 -0.587 . . . . 0.0 113.203 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -91.96 143.93 25.98 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.96 0.38 . . . . 0.0 111.735 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.2 t -83.1 115.86 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.557 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.7 t -120.1 132.69 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.734 0.302 . . . . 0.0 111.366 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -101.36 124.34 46.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.318 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.9 t -86.7 130.11 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.542 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -111.99 -40.94 4.09 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.699 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 62.8 p -138.01 143.87 40.8 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -122.12 113.62 19.76 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.632 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 71.0 mt -73.03 148.29 44.27 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -123.36 168.16 12.87 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.264 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.38 -117.08 4.98 Favored Glycine 0 C--N 1.337 0.589 0 CA-C-N 116.077 -0.511 . . . . 0.0 112.737 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 83.5 mtm-85 -71.35 -31.67 67.64 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.784 0.326 . . . . 0.0 110.777 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -110.72 50.77 0.74 Allowed Glycine 0 C--N 1.334 0.448 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.833 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -68.63 -18.29 64.27 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 pp -104.32 6.53 35.32 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.691 0.282 . . . . 0.0 111.049 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -104.57 118.12 35.81 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.145 0.498 . . . . 0.0 110.932 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 36.1 m0 -109.24 179.65 4.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.168 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -160.05 156.64 27.89 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.324 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 169.8 -147.25 10.69 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.319 -0.467 . . . . 0.0 112.366 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.8 p -136.63 128.49 29.19 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.609 0.242 . . . . 0.0 110.51 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 p -88.03 126.44 41.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.227 0.537 . . . . 0.0 111.769 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -82.18 -68.84 0.66 Allowed 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.58 -74.86 1.48 Allowed Glycine 0 C--N 1.341 0.822 0 CA-C-N 115.827 -0.624 . . . . 0.0 113.183 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -135.97 -33.04 0.86 Allowed 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.651 0.265 . . . . 0.0 110.635 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 39.8 t80 56.27 87.4 0.06 Allowed 'General case' 0 N--CA 1.473 0.722 0 O-C-N 124.251 0.969 . . . . 0.0 111.176 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -116.58 -8.37 11.51 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.566 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -151.55 -110.42 0.47 Allowed Glycine 0 C--N 1.334 0.469 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.459 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -144.01 110.52 5.55 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.67 0.272 . . . . 0.0 110.639 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -143.07 -16.1 0.68 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.109 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.21 -2.5 58.42 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.617 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.11 -35.94 78.94 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.668 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -99.03 146.57 25.91 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.247 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 27.0 mt -106.4 128.03 53.73 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.654 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.559 ' HA3' ' HG ' ' A' ' 39' ' ' LEU . . . -119.58 -173.84 15.47 Favored Glycine 0 C--N 1.334 0.449 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.203 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -129.67 147.7 51.48 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.656 0.265 . . . . 0.0 111.04 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -146.86 156.5 47.78 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.529 -178.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -77.73 126.85 8.38 Favored 'Trans proline' 0 C--N 1.37 1.667 0 C-N-CA 122.6 2.2 . . . . 0.0 112.085 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 98.1 p -63.37 -18.66 63.91 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.159 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.1 m -62.78 -17.05 60.48 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.6 pt -107.33 -6.92 10.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.9 m -105.8 161.28 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 120.644 -0.423 . . . . 0.0 111.766 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.6 ttt-85 -140.67 109.4 5.99 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.753 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -72.63 133.4 44.65 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.532 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -127.22 -34.28 2.32 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.059 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -141.15 124.35 16.47 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.9 m -88.76 126.23 35.24 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.2 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.8 mt -87.53 -42.6 12.64 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.849 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -144.7 133.35 10.99 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.697 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -61.25 131.15 35.1 Favored 'Trans proline' 0 C--N 1.367 1.508 0 C-N-CA 122.644 2.229 . . . . 0.0 113.788 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.453 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -106.59 93.45 0.86 Allowed Glycine 0 C--N 1.335 0.515 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.309 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -137.36 36.12 2.5 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 81.2 t -128.06 113.67 31.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.147 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -81.19 122.68 27.69 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.4 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 23.1 t -125.98 138.4 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.912 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.439 ' HG3' ' HG2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -79.86 153.97 28.7 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.587 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 46.0 p -98.97 135.42 40.4 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.807 0.337 . . . . 0.0 111.032 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -86.7 -174.62 5.06 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.482 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -1.58 56.67 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -102.76 21.46 15.45 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.85 0.357 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -109.18 -15.21 14.35 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.644 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -151.43 47.94 0.82 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.017 0.437 . . . . 0.0 111.813 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -150.9 107.95 3.57 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.309 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 92.1 m -104.96 140.37 38.28 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.536 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.877 179.473 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 120.697 0.284 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 135.24 172.45 12.73 Favored Glycine 0 CA--C 1.522 0.47 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.44 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -81.23 111.22 2.37 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 122.498 2.132 . . . . 0.0 112.186 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -116.54 155.24 48.93 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.847 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -55.68 146.57 64.77 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 122.809 2.34 . . . . 0.0 112.962 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -61.33 136.58 58.09 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.129 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.84 -38.52 28.1 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.21 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -156.1 179.56 9.11 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.532 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -101.79 -61.23 1.41 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.029 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -118.78 150.67 39.4 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.024 0.44 . . . . 0.0 111.248 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -124.68 172.45 9.26 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.608 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.2 mt -116.81 113.64 22.82 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.466 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 63.2 m -117.43 176.94 4.93 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.54 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.445 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -81.56 -28.61 33.78 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -152.0 177.97 9.92 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.224 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -63.48 -20.93 66.01 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.313 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.1 mp0 -88.53 -21.54 24.06 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.887 -0.142 . . . . 0.0 111.07 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.9 t 54.77 31.73 16.08 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.771 0.796 . . . . 0.0 109.939 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.3 t -97.71 -5.13 35.82 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 114.722 -1.126 . . . . 0.0 111.205 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -102.12 149.94 37.04 Favored Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.669 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -93.2 128.97 0.72 Allowed 'Trans proline' 0 C--N 1.366 1.475 0 C-N-CA 122.861 2.374 . . . . 0.0 112.223 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.6 mt -71.85 -61.76 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.18 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.7 m -139.66 147.29 40.79 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 24.5 ttp -89.73 111.59 22.62 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.944 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.42 145.16 39.44 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.854 0.359 . . . . 0.0 111.884 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.8 t -99.5 139.09 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.363 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.71 133.48 34.01 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.184 0.303 . . . . 0.0 111.442 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.38 -14.81 19.01 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.509 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -151.68 -175.76 5.34 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.87 154.7 17.47 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.189 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -151.14 149.39 29.42 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.07 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.434 ' HA ' HG23 ' A' ' 40' ' ' THR . 67.3 mtm -125.1 140.1 53.19 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.831 0.348 . . . . 0.0 111.079 179.114 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.5 116.15 66.07 Favored Pre-proline 0 C--O 1.236 0.343 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.543 -178.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -72.31 -64.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.363 1.321 0 C-N-CA 122.342 2.028 . . . . 0.0 110.88 178.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -92.55 170.42 9.76 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.443 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.9 t -66.33 -12.53 57.17 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.79 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -83.27 -19.17 36.82 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -98.2 172.85 7.32 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.778 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.4 tp -126.17 138.96 53.7 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.743 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.434 HG23 ' HA ' ' A' ' 32' ' ' MET . 24.4 m -92.41 125.16 36.94 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.409 HD13 HG22 ' A' ' 47' ' ' VAL . 60.7 mt -125.25 151.64 31.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.543 -178.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -118.92 153.48 34.51 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -62.45 116.02 4.73 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.742 0.306 . . . . 0.0 111.491 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.34 2.24 44.36 Favored Glycine 0 C--N 1.339 0.703 0 C-N-CA 121.052 -0.594 . . . . 0.0 114.165 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -82.67 147.32 28.59 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 117.701 0.75 . . . . 0.0 111.677 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.1 t -85.91 105.06 14.14 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-N 115.326 -0.852 . . . . 0.0 108.787 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.409 HG22 HD13 ' A' ' 41' ' ' ILE . 11.5 t -105.41 117.68 51.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 120.968 0.413 . . . . 0.0 111.891 -178.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -85.53 121.91 28.9 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.873 178.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.8 t -87.44 114.76 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 O-C-N 123.371 0.419 . . . . 0.0 110.283 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -94.38 -38.39 10.99 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.104 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.4 p -141.68 148.5 39.2 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -178.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -120.76 115.76 23.92 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.348 -0.842 . . . . 0.0 108.772 178.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 58' ' ' ARG . 53.5 mt -70.93 152.67 43.4 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -178.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -126.72 -40.43 1.91 Allowed 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.885 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.58 103.85 0.55 Allowed Glycine 0 C--N 1.341 0.845 0 O-C-N 123.496 0.498 . . . . 0.0 113.039 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 42.54 27.86 0.1 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.723 1.209 . . . . 0.0 113.349 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -160.79 52.5 0.34 Allowed Glycine 0 C--N 1.337 0.626 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.052 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -72.4 -13.76 61.54 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 111.567 0.21 . . . . 0.0 111.567 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 73.7 mt -90.86 1.28 57.1 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.499 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -112.84 124.76 53.33 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.332 0.587 . . . . 0.0 111.43 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -110.54 -174.23 2.43 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.03 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -160.24 151.02 21.53 Favored Glycine 0 C--N 1.334 0.431 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.915 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 175.02 -152.34 13.54 Favored Glycine 0 C--O 1.24 0.518 0 C-N-CA 121.389 -0.434 . . . . 0.0 112.699 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.4 t -138.69 168.8 19.0 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 123.731 0.312 . . . . 0.0 110.608 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -105.39 121.41 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -92.23 -26.82 18.0 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -58.13 103.01 0.29 Allowed Glycine 0 C--N 1.341 0.848 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.913 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 78.44 78.29 0.06 Allowed 'General case' 0 N--CA 1.475 0.794 0 O-C-N 125.42 1.306 . . . . 0.0 110.655 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -95.14 -83.88 0.35 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.721 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 7.5 t80 45.99 47.84 12.54 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.927 0.891 . . . . 0.0 112.857 178.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 161.31 -103.09 0.22 Allowed Glycine 0 C--N 1.336 0.546 0 C-N-CA 120.63 -0.795 . . . . 0.0 113.148 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -165.26 114.26 1.04 Allowed 'General case' 0 C--O 1.236 0.351 0 C-N-CA 122.802 0.441 . . . . 0.0 110.27 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.4 pp -159.89 6.22 0.09 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.798 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.64 -1.4 58.01 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.005 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.1 -37.15 69.6 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.982 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -78.78 98.91 6.47 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.657 0.741 . . . . 0.0 110.846 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.2 tp -91.3 132.18 36.32 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.922 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -142.66 -177.98 18.18 Favored Glycine 0 C--N 1.34 0.784 0 C-N-CA 120.276 -0.964 . . . . 0.0 113.627 -179.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -111.15 156.46 21.35 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.724 0.297 . . . . 0.0 111.347 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -154.13 156.87 32.27 Favored Pre-proline 0 CA--C 1.544 0.716 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.811 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.456 ' O ' HG12 ' A' ' 84' ' ' ILE . 8.6 Cg_exo -72.18 136.01 26.04 Favored 'Trans proline' 0 C--N 1.369 1.643 0 C-N-CA 122.239 1.96 . . . . 0.0 111.704 179.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 98.2 p -64.86 -23.93 67.38 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.585 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.6 m -66.55 -17.68 64.95 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 81' ' ' PRO . 21.1 pt -94.18 -6.83 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 120.407 -0.517 . . . . 0.0 112.308 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.5 m -122.38 166.97 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.879 0.371 . . . . 0.0 111.779 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -140.56 116.81 10.62 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.55 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -77.53 128.58 34.4 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.42 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -123.35 -36.25 2.84 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.735 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -137.64 136.92 37.92 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.3 m -98.69 124.98 43.85 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.6 mt -86.19 -40.57 15.47 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.844 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt -154.4 134.11 7.73 Favored Pre-proline 0 CA--C 1.544 0.717 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.805 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -50.5 132.96 36.73 Favored 'Trans proline' 0 C--N 1.373 1.842 0 C-N-CA 123.118 2.545 . . . . 0.0 114.517 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.445 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -111.99 82.37 0.3 Allowed Glycine 0 C--N 1.334 0.462 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 178.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.42 36.71 4.35 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -178.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.0 t -126.12 115.31 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.135 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -86.17 119.92 26.97 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.268 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 26.3 t -128.86 132.74 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.117 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.29 160.75 22.84 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.793 -0.185 . . . . 0.0 110.659 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 79.6 p -103.6 139.58 38.7 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.77 0.319 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -90.32 -175.13 4.4 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.856 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -18.41 49.5 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.798 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -80.1 -4.27 52.16 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -84.65 -37.9 20.48 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.644 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -93.22 -15.13 26.24 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.525 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -89.65 94.93 10.04 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.961 0.41 . . . . 0.0 110.715 -179.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 53.7 t -103.44 107.14 17.86 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.123 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.266 -0.874 . . . . 0.0 110.928 179.687 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.9 ttp . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.68 0.276 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 128.06 176.72 14.56 Favored Glycine 0 CA--C 1.524 0.62 0 CA-C-O 119.584 -0.564 . . . . 0.0 112.612 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -78.56 121.84 5.3 Favored 'Trans proline' 0 C--N 1.362 1.247 0 C-N-CA 122.4 2.066 . . . . 0.0 112.188 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.405 ' HE3' ' NH2' ' A' ' 37' ' ' ARG . 21.0 ptm -139.72 157.65 69.5 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.706 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.68 144.02 66.66 Favored 'Trans proline' 0 C--N 1.373 1.866 0 C-N-CA 122.646 2.231 . . . . 0.0 112.675 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -70.72 139.06 51.05 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.341 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.9 tp -74.26 -44.1 54.27 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.979 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.53 174.56 10.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.525 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.434 ' HB3' ' HD2' ' A' ' 10' ' ' ARG . 23.4 t70 -109.6 -45.92 3.6 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.391 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.434 ' HD2' ' HB3' ' A' ' 9' ' ' ASP . 2.4 mpt_? -123.2 155.55 36.88 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 121.525 0.679 . . . . 0.0 111.708 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.435 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 44.3 pttt -131.86 169.34 16.39 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 114.52 -1.218 . . . . 0.0 109.931 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 mp -126.83 116.15 20.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.754 0.311 . . . . 0.0 110.922 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.406 ' HA ' HD13 ' A' ' 22' ' ' ILE . 37.5 m -114.56 179.09 4.05 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.388 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.426 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -80.76 -41.08 24.05 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.531 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -124.81 171.06 10.44 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.155 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -70.66 -16.34 62.8 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 120.938 0.399 . . . . 0.0 110.437 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -88.27 -19.09 27.25 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.258 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.1 t 56.06 31.57 18.36 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 124.068 0.855 . . . . 0.0 109.818 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.0 t -96.93 -7.68 32.61 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 114.593 -1.185 . . . . 0.0 111.125 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -98.01 146.46 31.53 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.739 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -90.21 119.93 0.8 Allowed 'Trans proline' 0 C--N 1.366 1.481 0 C-N-CA 122.846 2.364 . . . . 0.0 111.859 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 13' ' ' CYS . 50.4 mt -68.75 -66.07 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.817 -179.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.4 p -135.49 138.32 43.01 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -89.81 111.07 21.97 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.122 -0.945 . . . . 0.0 108.628 178.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.36 145.13 42.2 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.271 -0.422 . . . . 0.0 112.045 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.9 t -95.56 141.96 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.627 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.85 131.42 34.52 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.844 0.354 . . . . 0.0 111.297 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -92.16 -6.48 50.63 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.403 ' HA ' ' HB2' ' A' ' 43' ' ' ARG . 2.7 pt20 -166.29 -175.8 3.41 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -89.01 148.65 23.64 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.665 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -151.7 135.87 16.67 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.108 179.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 15.5 tpt -112.46 139.44 48.03 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.97 107.56 23.72 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -77.22 -44.0 0.21 Allowed 'Trans proline' 0 C--N 1.363 1.338 0 C-N-CA 122.489 2.126 . . . . 0.0 112.404 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.19 158.05 16.84 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.596 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.5 p -59.27 -38.72 80.82 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.405 ' NH2' ' HE3' ' A' ' 4' ' ' MET . 7.8 ppt_? -91.73 16.15 11.32 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -178.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -99.71 168.26 10.03 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 177.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.5 tp -124.27 133.66 53.43 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 27.8 m -89.99 118.65 29.71 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.502 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.5 mt -122.25 152.98 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -118.72 156.77 28.73 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.934 0.397 . . . . 0.0 111.047 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.403 ' HB2' ' HA ' ' A' ' 29' ' ' GLN . 20.8 tpt180 -63.59 119.63 10.2 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.449 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.55 1.55 62.09 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 115.765 -0.652 . . . . 0.0 114.203 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -85.75 157.3 20.3 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 117.578 0.689 . . . . 0.0 111.94 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 13.9 t -93.32 126.32 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.671 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.1 t -125.25 123.64 65.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 120.836 0.35 . . . . 0.0 111.362 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -92.64 120.85 33.48 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.887 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.1 t -87.12 124.44 40.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.121 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -103.52 -31.15 10.09 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.813 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.435 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 73.2 p -144.45 149.72 36.48 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -124.9 114.43 19.17 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.333 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 58' ' ' ARG . 27.5 mt -72.98 150.33 42.56 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.898 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -131.83 -42.25 1.02 Allowed 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.47 100.82 0.33 Allowed Glycine 0 C--N 1.336 0.572 0 O-C-N 123.428 0.455 . . . . 0.0 113.025 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 75.5 mtt85 58.84 19.09 6.65 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.579 0.751 . . . . 0.0 112.435 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.31 49.94 0.35 Allowed Glycine 0 C--N 1.336 0.565 0 C-N-CA 121.496 -0.383 . . . . 0.0 112.193 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 38.2 ptt180 -68.8 -20.86 64.34 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 64.0 mt -92.6 12.32 23.52 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.843 0.354 . . . . 0.0 110.658 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -121.83 125.73 47.15 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.063 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 47.5 m0 -113.98 -175.96 2.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.622 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -159.97 150.51 20.78 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.623 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 175.16 -150.1 10.8 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 121.435 -0.412 . . . . 0.0 112.431 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.8 t -140.59 145.85 37.24 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.586 0.231 . . . . 0.0 110.794 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.0 t -85.05 127.22 40.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.067 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -74.12 -78.02 0.1 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 32.84 79.27 0.02 OUTLIER Glycine 0 C--N 1.353 1.517 0 O-C-N 124.185 0.928 . . . . 0.0 113.98 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 67.88 94.11 0.07 Allowed 'General case' 0 N--CA 1.473 0.681 0 O-C-N 124.144 0.555 . . . . 0.0 110.227 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -82.07 93.15 6.94 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.432 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -109.92 -11.22 14.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.693 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.18 46.59 4.08 Favored Glycine 0 C--N 1.335 0.526 0 CA-C-N 116.038 -0.528 . . . . 0.0 113.072 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -148.12 10.66 0.9 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.591 0.234 . . . . 0.0 111.559 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.2 -19.91 1.1 Allowed 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -179.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.17 36.87 2.0 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.241 0.543 . . . . 0.0 110.701 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.86 -14.13 23.44 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.486 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.46 163.6 32.4 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.4 mt -119.15 128.15 54.0 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.936 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -124.04 171.14 16.3 Favored Glycine 0 C--N 1.335 0.485 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.098 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -106.53 155.23 19.82 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.915 0.388 . . . . 0.0 111.264 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -153.44 154.59 30.76 Favored Pre-proline 0 CA--C 1.541 0.631 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.642 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.428 ' O ' HG12 ' A' ' 84' ' ' ILE . 7.6 Cg_exo -73.16 135.0 22.08 Favored 'Trans proline' 0 C--N 1.369 1.606 0 C-N-CA 122.145 1.897 . . . . 0.0 111.75 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 98.7 p -64.95 -22.78 67.06 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.418 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.7 t -66.23 -21.09 66.29 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 81' ' ' PRO . 20.2 pt -92.63 -6.26 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 120.461 -0.496 . . . . 0.0 112.337 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.7 m -119.7 167.85 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-O 120.979 0.418 . . . . 0.0 112.027 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -140.74 116.95 10.61 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.347 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -71.51 131.46 43.32 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.406 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -121.01 -39.08 2.74 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.681 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -144.79 143.31 30.59 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 57.8 m -103.04 121.61 42.93 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.0 mt -86.42 -32.51 20.85 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.286 -178.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 tpmt? -153.42 131.6 6.43 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.127 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -59.55 124.62 15.86 Favored 'Trans proline' 0 C--N 1.368 1.554 0 C-N-CA 122.932 2.422 . . . . 0.0 113.867 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -98.58 91.65 1.14 Allowed Glycine 0 C--N 1.335 0.498 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 178.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -129.24 25.29 5.5 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.7 t -118.15 121.76 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -93.01 105.22 17.35 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.128 0.49 . . . . 0.0 111.605 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.7 t -105.48 178.82 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.94 165.97 23.45 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 118.107 0.412 . . . . 0.0 110.773 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.5 p -93.75 169.6 10.19 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.615 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -123.86 -174.97 3.11 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.174 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -68.86 -37.77 79.31 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.83 0.452 . . . . 0.0 112.214 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 55.3 m95 -88.71 48.01 1.58 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.089 0.471 . . . . 0.0 111.963 -178.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -127.0 -19.2 4.46 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.918 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -123.51 -16.19 6.87 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -89.67 113.13 24.57 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.307 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 41.6 m -119.69 32.68 5.95 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.357 -0.83 . . . . 0.0 110.658 -179.905 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ptt? . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.751 0.31 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.03 177.13 14.79 Favored Glycine 0 CA--C 1.523 0.547 0 CA-C-O 119.368 -0.685 . . . . 0.0 112.538 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -66.14 149.62 85.54 Favored 'Trans proline' 0 C--N 1.364 1.344 0 C-N-CA 122.459 2.106 . . . . 0.0 112.182 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.694 ' HE1' ' HG2' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -156.12 166.01 17.34 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.502 -178.678 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -50.87 158.74 2.83 Favored 'Trans proline' 0 C--N 1.38 2.214 0 C-N-CA 122.403 2.068 . . . . 0.0 112.696 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -29.55 70.62 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.9 tp 75.44 -34.39 0.25 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.975 0.91 . . . . 0.0 111.829 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -156.85 -166.71 2.17 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 122.938 0.495 . . . . 0.0 110.193 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -129.68 -53.52 1.15 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.53 0.205 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.449 ' HG2' ' HG2' ' A' ' 99' ' ' LYS . 40.0 mtp85 -124.46 163.39 21.93 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.142 -179.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.408 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 34.2 pttt -132.92 167.31 20.47 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.197 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -111.39 119.29 38.33 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.321 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 79.6 m -121.92 171.42 8.93 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.449 ' HB2' ' HG2' ' A' ' 92' ' ' LYS . . . -87.44 -33.16 19.15 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.15 178.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.06 171.16 14.36 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.393 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -68.24 -18.15 64.49 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.145 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.5 mp0 -89.32 -15.92 32.29 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.728 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 90.4 m 57.06 28.08 14.34 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.459 0.647 . . . . 0.0 110.178 -178.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.4 t -96.75 -8.09 32.18 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.355 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -98.82 148.7 34.92 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.748 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -91.65 118.76 0.52 Allowed 'Trans proline' 0 C--N 1.367 1.534 0 C-N-CA 122.92 2.414 . . . . 0.0 111.588 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.3 mp -67.7 -64.88 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.136 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.292 -179.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 p -133.03 144.11 49.84 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.6 ttp -98.58 122.93 42.4 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 114.788 -1.096 . . . . 0.0 109.167 179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.447 ' HB2' ' HB ' ' A' ' 85' ' ' VAL . . . -120.44 158.72 26.61 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.5 t -109.26 135.47 48.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.719 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.0 139.17 38.26 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.907 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -100.35 -22.36 15.1 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.316 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -150.2 178.81 8.64 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -83.25 153.28 24.77 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.304 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -151.37 108.75 3.6 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.433 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.419 ' HA ' HG23 ' A' ' 40' ' ' THR . 3.5 mpp? -92.72 119.5 32.16 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 179.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.401 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . . . -73.4 116.86 55.39 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.055 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 2.8 Cg_exo -76.44 -61.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.363 1.293 0 C-N-CA 122.419 2.079 . . . . 0.0 111.846 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -91.44 165.1 13.56 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.245 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 29.5 t -57.82 -36.15 71.84 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 114.888 -1.051 . . . . 0.0 113.353 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.694 ' HG2' ' HE1' ' A' ' 4' ' ' MET . 0.2 OUTLIER -67.87 -18.45 64.81 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -178.042 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -94.2 163.85 13.28 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 117.888 0.313 . . . . 0.0 111.472 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.6 142.51 50.04 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.793 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.419 HG23 ' HA ' ' A' ' 32' ' ' MET . 35.8 m -89.94 126.2 35.65 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.995 0.426 . . . . 0.0 110.802 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.472 HD11 HG21 ' A' ' 47' ' ' VAL . 71.0 mt -125.36 143.32 39.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.614 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -104.27 161.91 13.65 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.108 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -66.17 115.95 6.72 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.794 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.55 9.85 59.74 Favored Glycine 0 C--N 1.337 0.588 0 C-N-CA 121.034 -0.603 . . . . 0.0 113.575 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -82.29 143.21 31.47 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 117.153 0.476 . . . . 0.0 111.44 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 t -82.88 123.38 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.472 HG21 HD11 ' A' ' 41' ' ' ILE . 9.2 t -123.95 123.03 65.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 120.772 0.32 . . . . 0.0 111.429 -179.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -91.22 125.57 36.03 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.983 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.4 t -90.57 123.69 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.529 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -105.82 -20.5 13.42 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.879 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.408 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 72.6 p -158.08 138.93 13.06 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -116.3 111.11 19.64 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.627 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.7 mt -73.35 145.35 46.01 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 58' ' ' ARG . 55.9 mtmt -133.27 174.51 10.31 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.517 179.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.18 -104.39 3.17 Favored Glycine 0 C--N 1.337 0.589 0 C-N-CA 121.201 -0.523 . . . . 0.0 113.013 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.3 mmm-85 -75.55 -19.74 59.12 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 122.291 0.237 . . . . 0.0 111.234 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -145.54 68.84 0.4 Allowed Glycine 0 C--N 1.334 0.426 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.033 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.476 ' HA ' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -73.01 -5.49 39.16 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.798 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.0 mp -100.62 -6.74 24.8 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.604 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -97.15 128.44 44.06 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.382 0.61 . . . . 0.0 111.782 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 34.3 m0 -115.36 -179.27 3.59 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.162 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.26 156.59 28.05 Favored Glycine 0 C--N 1.333 0.414 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.693 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.62 -145.15 10.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.481 -0.39 . . . . 0.0 112.382 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.4 t -132.37 152.35 51.48 Favored 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 p -105.19 128.32 59.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 121.333 0.587 . . . . 0.0 111.616 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -99.61 148.02 24.76 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.225 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 161.66 -50.19 0.34 Allowed Glycine 0 C--N 1.334 0.428 0 C-N-CA 121.242 -0.504 . . . . 0.0 112.125 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -125.06 128.79 49.06 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -135.26 90.9 2.67 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.026 0.441 . . . . 0.0 110.554 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -120.83 -14.6 8.49 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.955 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -160.75 -113.02 0.3 Allowed Glycine 0 C--N 1.333 0.388 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.476 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -121.69 114.23 20.84 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.659 0.266 . . . . 0.0 110.785 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.17 -24.65 0.25 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.183 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.6 -3.49 46.28 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.346 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.46 -38.3 71.3 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.687 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -89.43 151.38 22.05 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.385 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.0 mt -116.01 134.39 55.01 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.422 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -122.71 178.54 16.35 Favored Glycine 0 C--N 1.334 0.431 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.993 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.44 ' HD2' ' HD3' ' A' ' 37' ' ' ARG . 31.9 m-85 -119.18 147.57 44.06 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.778 0.323 . . . . 0.0 110.949 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -147.13 152.64 43.71 Favored Pre-proline 0 CA--C 1.54 0.579 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.975 -178.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -77.19 137.24 16.88 Favored 'Trans proline' 0 C--N 1.366 1.469 0 C-N-CA 122.457 2.105 . . . . 0.0 112.002 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 95.8 p -65.12 -19.69 66.11 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.535 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.3 t -66.24 -22.31 66.32 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.2 pt -95.52 -0.83 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.447 ' HB ' ' HB2' ' A' ' 25' ' ' ALA . 33.2 m -121.93 155.81 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.1 ttt85 -126.53 117.94 23.88 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.793 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -88.29 129.02 35.49 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.227 -179.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -138.35 -23.77 0.98 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.57 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -123.68 140.44 52.99 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.747 -178.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.0 m -122.17 114.53 20.99 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.9 mt -86.51 -13.82 44.87 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.449 ' HG2' ' HB2' ' A' ' 14' ' ' ALA . 1.9 tpmt? -172.55 135.01 0.77 Allowed Pre-proline 0 N--CA 1.477 0.877 0 O-C-N 123.346 0.404 . . . . 0.0 110.792 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.408 ' HD2' ' HG3' ' A' ' 92' ' ' LYS . 72.0 Cg_exo -56.83 127.88 27.65 Favored 'Trans proline' 0 C--N 1.368 1.586 0 C-N-CA 123.105 2.536 . . . . 0.0 113.441 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -101.72 77.79 0.37 Allowed Glycine 0 C--N 1.333 0.415 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.93 27.27 7.77 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -178.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.6 t -126.35 102.79 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -84.36 128.53 34.63 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.647 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 25.5 t -127.75 145.98 34.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.256 179.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.449 ' HG2' ' HG2' ' A' ' 10' ' ' ARG . 55.6 mtpt -80.63 161.11 24.84 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.47 0.176 . . . . 0.0 110.999 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.0 p -101.39 141.83 33.68 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.09 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -95.9 -179.6 4.76 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.334 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -18.61 58.59 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -81.46 -4.05 54.77 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -81.46 -26.54 35.2 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.18 58.03 1.64 Allowed 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.213 0.53 . . . . 0.0 111.935 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -151.16 104.65 3.14 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.215 179.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 98.5 m -105.96 150.14 25.96 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.568 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.255 -0.878 . . . . 0.0 111.166 -179.848 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.715 0.293 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 142.12 168.88 11.87 Favored Glycine 0 C--N 1.333 0.389 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.409 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -90.21 60.52 1.72 Allowed 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 123.109 2.539 . . . . 0.0 112.961 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.587 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -81.94 172.9 8.55 Favored Pre-proline 0 CA--C 1.562 1.431 0 CA-C-O 118.803 -0.618 . . . . 0.0 109.545 179.349 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.587 ' HD2' ' HB2' ' A' ' 4' ' ' MET . 17.7 Cg_endo -59.74 157.29 33.44 Favored 'Trans proline' 0 C--N 1.377 2.034 0 C-N-CA 122.889 2.393 . . . . 0.0 115.181 -177.384 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -90.31 -179.88 5.73 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.842 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -109.73 -45.74 3.61 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.007 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -135.92 -171.44 2.86 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.2 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 42.1 p-10 -124.36 -26.19 3.97 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.442 ' HE ' ' HE2' ' A' ' 99' ' ' LYS . 74.5 mtt85 -135.71 156.89 48.12 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.962 0.411 . . . . 0.0 111.191 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 38.0 pttt -137.41 177.39 7.9 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.61 -178.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.42 ' O ' ' HA ' ' A' ' 51' ' ' SER . 3.9 mm? -118.7 113.25 20.88 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.36 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 85.1 m -117.17 176.23 5.23 Favored 'General case' 0 C--O 1.232 0.18 0 O-C-N 123.614 0.571 . . . . 0.0 110.265 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.432 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -83.43 -23.15 32.42 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.286 178.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -150.31 172.24 15.69 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.333 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.416 ' HA ' HG22 ' A' ' 98' ' ' VAL . 19.4 pt20 -66.12 -17.87 64.99 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -178.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -91.8 -15.46 28.23 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.9 m 56.63 28.68 14.41 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.461 0.648 . . . . 0.0 110.127 -178.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.2 t -94.77 -7.96 38.92 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.411 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -100.76 148.05 34.49 Favored Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.443 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -93.5 130.19 0.74 Allowed 'Trans proline' 0 C--N 1.365 1.401 0 C-N-CA 122.852 2.368 . . . . 0.0 112.351 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.3 mt -74.49 -62.56 1.27 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.163 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.144 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.9 t -139.97 146.03 38.62 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.053 0.454 . . . . 0.0 111.957 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -93.64 126.12 38.64 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.41 ' HB2' ' HB ' ' A' ' 85' ' ' VAL . . . -127.34 150.68 49.49 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -178.057 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.8 t -102.52 135.28 40.44 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.153 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.99 130.31 37.31 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -90.44 -27.26 19.39 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -147.87 176.96 9.72 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -79.01 150.97 31.79 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.341 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -151.43 136.05 17.08 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.415 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.0 mmm -115.39 137.13 52.37 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.235 0.334 . . . . 0.0 110.68 179.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.401 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . . . -94.51 118.54 66.93 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.342 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 4.7 Cg_exo -75.15 -67.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.363 1.325 0 C-N-CA 122.494 2.13 . . . . 0.0 111.489 179.17 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.0 170.5 9.61 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.66 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.9 t -64.73 -9.94 23.81 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -178.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.4 mtm105 -80.05 -25.91 39.94 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -95.93 164.49 12.7 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.937 0.399 . . . . 0.0 111.931 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.1 tp -120.34 138.72 53.57 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.741 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 41.3 m -88.29 121.82 31.12 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.9 mt -127.04 127.12 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.986 -178.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -88.96 159.26 17.73 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 177.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -63.14 117.14 6.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.694 -178.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.37 3.41 53.64 Favored Glycine 0 C--N 1.342 0.878 0 C-N-CA 120.965 -0.636 . . . . 0.0 114.312 179.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -76.34 145.28 39.61 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 117.842 0.821 . . . . 0.0 111.783 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.8 t -88.23 103.08 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.8 t -110.28 126.94 67.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.852 0.358 . . . . 0.0 111.546 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -96.39 127.89 42.81 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.401 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.7 t -87.42 136.56 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.247 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -118.15 -31.17 5.1 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 112.126 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.427 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 37.4 p -148.32 147.68 29.57 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.323 0.861 . . . . 0.0 113.323 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -121.95 121.47 37.16 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.24 -0.891 . . . . 0.0 108.844 178.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.7 mt -66.18 150.29 48.99 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -89.01 -97.26 0.09 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.768 -179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.57 154.5 45.69 Favored Glycine 0 C--N 1.344 0.985 0 C-N-CA 121.232 -0.508 . . . . 0.0 112.689 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? 74.9 -58.26 0.58 Allowed 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.565 1.146 . . . . 0.0 111.714 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.0 -55.55 7.9 Favored Glycine 0 C--N 1.338 0.643 0 CA-C-O 119.755 -0.47 . . . . 0.0 112.607 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 58.57 -77.37 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.277 1.031 . . . . 0.0 112.257 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.1 pp -86.57 -0.26 55.78 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.286 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -88.34 115.31 25.76 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.168 0.509 . . . . 0.0 110.631 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 42.2 m0 -107.79 -171.32 1.85 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.126 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -169.55 165.09 38.55 Favored Glycine 0 C--N 1.336 0.529 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.776 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 164.65 -144.89 9.75 Favored Glycine 0 C--N 1.337 0.617 0 N-CA-C 112.136 -0.386 . . . . 0.0 112.136 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 94.1 p -134.9 155.18 51.15 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.9 p -107.47 132.9 53.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-O 121.339 0.59 . . . . 0.0 111.977 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -105.45 136.32 45.23 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.136 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 157.38 -31.13 0.53 Allowed Glycine 0 C--N 1.334 0.448 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.445 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.7 124.77 14.43 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.961 0.41 . . . . 0.0 111.229 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -125.49 102.75 7.53 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.727 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -110.79 -5.3 14.98 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.872 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 153.1 -86.89 0.13 Allowed Glycine 0 C--N 1.334 0.434 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.035 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -105.69 91.14 3.63 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.964 0.411 . . . . 0.0 110.36 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -134.08 -57.03 0.87 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.242 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.33 -7.98 55.85 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.412 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.32 -35.55 76.07 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.684 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -95.07 151.92 18.78 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.459 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 69.6 mt -115.35 125.1 52.8 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.214 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -112.01 -173.8 19.44 Favored Glycine 0 C--N 1.333 0.399 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.747 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -129.54 148.22 51.42 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.807 0.337 . . . . 0.0 110.72 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -151.05 154.86 34.64 Favored Pre-proline 0 CA--C 1.541 0.596 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.041 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -74.33 137.05 22.8 Favored 'Trans proline' 0 C--N 1.368 1.56 0 C-N-CA 122.315 2.01 . . . . 0.0 111.554 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.1 p -63.92 -20.85 66.16 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.414 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.2 p -65.9 -25.11 67.01 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.0 pt -92.69 -1.34 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.41 ' HB ' ' HB2' ' A' ' 25' ' ' ALA . 17.0 m -123.86 145.63 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 121.024 0.44 . . . . 0.0 112.051 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -117.18 108.16 15.33 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.964 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -80.92 103.23 10.61 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.456 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -94.22 -28.39 15.65 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.307 -178.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -144.8 129.8 18.42 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.5 m -90.77 124.62 35.27 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.6 mt -85.68 -38.94 17.78 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.875 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -155.43 135.07 8.04 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -53.48 132.82 50.62 Favored 'Trans proline' 0 C--N 1.371 1.72 0 C-N-CA 123.38 2.72 . . . . 0.0 114.508 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -112.78 76.72 0.23 Allowed Glycine 0 C--N 1.335 0.496 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 178.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -122.41 31.26 6.19 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.9 t -119.94 117.34 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.473 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -79.87 119.02 22.17 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.965 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' A' ' 16' ' ' GLN . 4.6 t -121.45 129.41 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.442 ' HE2' ' HE ' ' A' ' 10' ' ' ARG . 94.1 mttt -79.17 159.95 27.18 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.187 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 62.5 p -98.57 156.18 16.92 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.627 0.251 . . . . 0.0 110.795 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -111.52 -172.31 2.01 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.016 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.26 -42.35 65.71 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.466 -179.427 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -86.75 47.58 1.51 Allowed 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.702 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.28 -31.45 3.05 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -114.32 -0.32 13.88 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.272 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -89.51 117.97 28.81 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.271 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 48.8 t -121.62 143.4 49.34 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.989 -179.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.731 179.553 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.382 0 CA-C-O 119.652 -0.527 . . . . 0.0 112.397 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -85.64 122.14 2.3 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.746 2.298 . . . . 0.0 113.132 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.403 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 34.7 mtm -118.28 160.06 40.95 Favored Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.645 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 4' ' ' MET . 27.8 Cg_endo -61.59 125.3 16.43 Favored 'Trans proline' 0 C--N 1.37 1.684 0 C-N-CA 121.765 1.644 . . . . 0.0 111.35 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -51.67 136.48 27.0 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.182 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.34 -31.38 69.79 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.588 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -152.05 -175.79 5.39 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.185 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -114.26 -45.81 3.02 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.391 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -125.99 156.57 39.63 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.124 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.629 ' HB3' HD23 ' A' ' 53' ' ' LEU . 39.3 pttt -134.64 177.76 7.53 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.49 -179.277 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.5 mt -121.03 138.72 54.04 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.207 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.416 ' HA ' HD11 ' A' ' 22' ' ' ILE . 78.3 m -140.46 172.83 12.17 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.491 0.495 . . . . 0.0 110.7 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.558 ' HB1' ' HE2' ' A' ' 92' ' ' LYS . . . -79.04 -31.9 44.75 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.885 0.374 . . . . 0.0 110.153 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -137.12 169.89 17.02 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.903 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -69.33 -12.64 61.84 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.393 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -90.09 -19.25 24.55 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.539 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.7 m 57.78 28.72 16.34 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 121.481 0.658 . . . . 0.0 110.23 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.6 t -94.65 -8.23 38.55 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.258 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -102.31 151.4 38.13 Favored Pre-proline 0 CA--C 1.536 0.427 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.175 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -91.33 120.43 0.63 Allowed 'Trans proline' 0 C--N 1.368 1.554 0 C-N-CA 122.876 2.384 . . . . 0.0 111.928 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.416 HD11 ' HA ' ' A' ' 13' ' ' CYS . 59.8 mt -63.93 -62.12 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.026 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.0 m -141.51 145.26 34.95 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.229 0.537 . . . . 0.0 112.306 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -88.71 121.56 31.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 114.9 -1.045 . . . . 0.0 108.676 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.566 ' HB2' ' HG2' ' A' ' 87' ' ' GLU . . . -122.07 150.86 41.54 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -178.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.4 t -104.0 141.94 18.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.269 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.15 132.62 35.08 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.221 0.326 . . . . 0.0 111.628 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.2 mp -102.73 -16.51 15.96 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -151.77 -179.86 7.81 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -88.0 152.44 22.04 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.018 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -151.35 134.74 16.12 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.142 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 64.1 mtt -109.39 133.44 53.06 Favored 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.27 0.356 . . . . 0.0 110.379 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.34 110.14 31.4 Favored Pre-proline 0 CA--C 1.537 0.47 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -78.46 -56.43 0.04 OUTLIER 'Trans proline' 0 C--N 1.364 1.37 0 C-N-CA 122.679 2.253 . . . . 0.0 112.288 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -91.26 167.06 12.59 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.486 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.1 t -58.28 -40.35 81.69 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.974 -1.012 . . . . 0.0 113.232 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.429 HH11 ' HB3' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -79.78 2.71 21.93 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -178.163 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -100.9 155.84 17.72 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 117.744 0.247 . . . . 0.0 110.902 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.464 HD13 HG23 ' A' ' 65' ' ' VAL . 5.6 mt -117.57 140.62 49.38 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.6 m -89.59 122.16 32.47 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 76.9 mt -128.62 122.82 58.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.425 ' H ' ' CD ' ' A' ' 45' ' ' GLN . 78.3 m-70 -89.26 160.76 16.76 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.222 178.174 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 70.2 ttt-85 -63.97 117.23 6.73 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.348 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.45 0.16 46.73 Favored Glycine 0 C--N 1.339 0.696 0 C-N-CA 120.855 -0.688 . . . . 0.0 114.194 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.425 ' CD ' ' H ' ' A' ' 42' ' ' HIS . 25.9 mt-30 -75.72 151.95 37.56 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 117.759 0.779 . . . . 0.0 111.867 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.1 t -90.66 115.08 29.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.996 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.9 t -124.05 124.9 69.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-O 120.891 0.377 . . . . 0.0 111.824 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -94.61 127.62 40.69 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.265 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.9 t -89.1 121.42 39.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.161 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -100.57 -34.44 9.9 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.764 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.7 p -145.49 145.24 30.99 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -117.78 117.97 30.78 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.398 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.629 HD23 ' HB3' ' A' ' 11' ' ' LYS . 33.2 mt -79.35 141.54 36.85 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.047 0.217 . . . . 0.0 111.433 -178.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 58' ' ' ARG . 9.1 mtpm? -133.88 175.68 9.25 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.47 -98.5 2.45 Favored Glycine 0 C--N 1.335 0.528 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.964 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 73.0 mmt-85 -79.35 -21.17 46.17 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 122.236 0.215 . . . . 0.0 111.456 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -144.43 67.66 0.43 Allowed Glycine 0 C--N 1.334 0.459 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.234 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -72.41 -7.65 50.89 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.809 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.2 mp -96.32 -7.64 34.77 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.812 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -102.07 133.52 46.77 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.401 0.619 . . . . 0.0 111.88 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 31.7 m0 -118.8 -175.91 2.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.731 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -160.58 159.87 31.31 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 121.188 -0.529 . . . . 0.0 112.305 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.38 -153.04 23.35 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 121.283 -0.484 . . . . 0.0 112.397 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.6 t -127.06 159.88 32.84 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 122.258 0.223 . . . . 0.0 110.586 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.464 HG23 HD13 ' A' ' 39' ' ' LEU . 43.9 t -111.89 122.47 66.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.264 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 . . . . . 0 C--O 1.235 0.313 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.416 179.116 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.442 0 CA-C-O 120.81 0.338 . . . . 0.0 111.668 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -165.67 -17.26 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.553 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -110.45 -8.12 14.7 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.5 mt 60.1 176.47 0.09 Allowed 'General case' 0 N--CA 1.478 0.953 0 O-C-N 124.058 0.849 . . . . 0.0 112.713 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -169.51 -174.94 38.31 Favored Glycine 0 C--N 1.336 0.551 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.897 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -126.74 151.94 47.52 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.945 0.372 . . . . 0.0 111.196 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -154.97 150.84 21.89 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.918 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.45 ' O ' HG12 ' A' ' 84' ' ' ILE . 9.2 Cg_exo -72.73 142.4 35.65 Favored 'Trans proline' 0 C--N 1.367 1.51 0 C-N-CA 122.505 2.136 . . . . 0.0 111.983 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 97.2 p -64.33 -26.36 68.44 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.646 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.3 p -66.15 -16.18 63.75 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.529 HG13 HG13 ' A' ' 85' ' ' VAL . 22.6 pt -96.69 -4.77 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.529 HG13 HG13 ' A' ' 84' ' ' ILE . 34.0 m -127.16 163.92 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-O 121.05 0.452 . . . . 0.0 112.055 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.5 ttt180 -135.83 116.06 13.48 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.891 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.566 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 52.0 mt-10 -89.25 123.92 33.91 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.038 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -126.47 -25.96 3.37 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.613 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -121.83 127.01 50.08 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.409 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.7 m -108.8 118.93 38.06 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.2 mt -85.49 -23.74 27.65 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -177.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.558 ' HE2' ' HB1' ' A' ' 14' ' ' ALA . 11.5 mtpt -166.08 142.31 4.17 Favored Pre-proline 0 N--CA 1.476 0.834 0 O-C-N 123.737 0.648 . . . . 0.0 111.411 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -61.5 130.61 32.41 Favored 'Trans proline' 0 C--N 1.37 1.708 0 C-N-CA 122.97 2.447 . . . . 0.0 113.548 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -98.6 77.82 0.56 Allowed Glycine 0 C--N 1.333 0.39 0 N-CA-C 110.466 -1.054 . . . . 0.0 110.466 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.7 pttt -122.41 33.47 5.44 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -177.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 53.1 t -121.73 110.53 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -81.86 115.12 20.91 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.325 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 25.1 t -123.35 122.97 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.032 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.53 166.87 20.76 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.081 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.7 p -97.52 162.94 13.07 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -121.72 -167.77 1.58 Allowed 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.841 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -42.6 88.12 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.444 0.698 . . . . 0.0 112.698 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -72.01 -16.12 62.06 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -79.15 147.98 32.5 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 60.07 41.39 17.28 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.705 0.628 . . . . 0.0 110.566 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 16.8 t80 . . . . . 0 N--CA 1.467 0.394 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.093 -179.416 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.293 0 CA-C-O 119.629 -0.539 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -82.1 101.97 1.18 Allowed 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 122.412 2.075 . . . . 0.0 112.248 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -113.03 159.92 32.88 Favored Pre-proline 0 CA--C 1.541 0.627 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.232 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -49.26 151.19 6.73 Favored 'Trans proline' 0 C--N 1.375 1.956 0 C-N-CA 123.218 2.612 . . . . 0.0 113.913 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -69.76 169.65 12.53 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.776 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.3 tp -118.76 -32.14 4.61 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.475 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -150.36 170.54 18.8 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.42 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -109.31 -41.56 4.61 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.94 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -134.78 162.13 33.24 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.638 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.456 ' HB3' HD23 ' A' ' 53' ' ' LEU . 36.8 pttt -137.97 170.09 16.64 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.19 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.0 mt -118.31 111.97 19.44 Favored 'General case' 0 CA--C 1.523 -0.086 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.388 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 64.7 m -108.8 178.14 4.56 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.809 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.533 ' HB1' ' HG2' ' A' ' 92' ' ' LYS . . . -88.68 -22.27 23.49 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.18 178.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -146.86 172.44 13.66 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.679 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -65.84 -26.33 67.61 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.972 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.11 -11.77 43.01 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 80.9 m 56.39 28.94 14.31 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.345 0.593 . . . . 0.0 110.119 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.4 t -97.43 0.57 47.94 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.683 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -105.54 146.86 33.63 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.711 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.403 ' HB2' HD12 ' A' ' 91' ' ' LEU . 36.0 Cg_endo -90.26 114.08 0.5 Allowed 'Trans proline' 0 C--N 1.365 1.435 0 C-N-CA 122.788 2.325 . . . . 0.0 111.613 178.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.8 mt -62.07 -59.53 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.4 t -136.76 171.35 14.62 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.239 0.542 . . . . 0.0 111.691 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 19.9 ttp -118.48 100.86 7.73 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.09 143.57 29.21 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.8 t -98.67 139.32 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.316 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.04 132.57 35.12 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.172 0.295 . . . . 0.0 111.261 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -97.25 -19.55 18.5 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -148.91 -177.3 5.73 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -90.49 148.28 22.84 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.889 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -151.41 134.95 16.22 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.791 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.503 ' HA ' HG23 ' A' ' 40' ' ' THR . 53.1 tpp -110.79 135.16 51.77 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.446 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . . . -78.51 114.99 47.96 Favored Pre-proline 0 CA--C 1.537 0.459 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -179.069 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 4.4 Cg_exo -77.43 -58.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.365 1.438 0 C-N-CA 122.473 2.116 . . . . 0.0 112.366 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -91.54 169.09 11.04 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.127 0.489 . . . . 0.0 112.015 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.1 t -63.25 -24.82 68.04 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -96.86 14.63 24.63 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -109.65 162.34 14.52 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.243 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.0 mt -113.92 145.33 41.66 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.503 HG23 ' HA ' ' A' ' 32' ' ' MET . 37.0 m -97.47 112.12 24.1 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 177.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.0 mt -113.88 147.83 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.6 -177.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -112.29 154.92 24.92 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.944 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -64.44 117.28 7.08 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.502 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.32 -2.64 50.49 Favored Glycine 0 C--N 1.339 0.709 0 C-N-CA 120.921 -0.657 . . . . 0.0 114.243 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -80.23 155.46 27.34 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 117.543 0.672 . . . . 0.0 111.631 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.1 t -95.08 117.45 38.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.035 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.569 HG22 HG13 ' A' ' 65' ' ' VAL . 21.5 t -114.9 124.29 71.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.092 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -91.52 121.49 33.26 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.444 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.3 t -88.22 122.76 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.074 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -101.61 -26.06 13.66 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 77.3 p -153.06 160.41 42.94 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -126.64 112.92 16.04 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.456 HD23 ' HB3' ' A' ' 11' ' ' LYS . 56.5 mt -69.79 153.3 43.53 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -178.214 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -133.4 154.93 50.34 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.534 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.74 110.57 0.14 Allowed Glycine 0 C--N 1.338 0.644 0 C-N-CA 121.311 -0.471 . . . . 0.0 112.926 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.0 mtp-105 71.17 -64.66 0.37 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.728 1.211 . . . . 0.0 111.59 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -103.96 44.97 1.38 Allowed Glycine 0 N--CA 1.451 -0.314 0 N-CA-C 111.684 -0.566 . . . . 0.0 111.684 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.8 ptt-85 -69.41 -11.27 60.68 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.3 mt -91.49 11.35 24.33 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.667 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -115.65 129.2 56.41 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.094 0.473 . . . . 0.0 111.313 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 38.0 m0 -111.16 138.46 47.57 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.802 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -102.24 159.6 17.86 Favored Glycine 0 C--N 1.33 0.202 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.152 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 159.44 -157.11 28.26 Favored Glycine 0 C--N 1.334 0.447 0 C-N-CA 121.375 -0.441 . . . . 0.0 112.48 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.4 p -130.06 157.67 41.74 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 122.179 0.192 . . . . 0.0 110.565 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.569 HG13 HG22 ' A' ' 47' ' ' VAL . 38.6 t -110.01 122.31 64.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.96 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 . . . . . 0 C--O 1.233 0.236 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.432 179.206 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.376 0 CA-C-O 121.041 0.448 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.89 -40.15 0.1 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.192 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.71 8.57 5.35 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.981 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 57.6 mt 61.73 169.33 0.11 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.826 0.85 . . . . 0.0 113.245 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -162.91 -175.39 33.89 Favored Glycine 0 C--N 1.336 0.555 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.747 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -123.67 154.2 39.71 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.974 0.387 . . . . 0.0 111.299 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -154.47 150.38 21.88 Favored Pre-proline 0 CA--C 1.542 0.647 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.904 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.83 132.47 17.13 Favored 'Trans proline' 0 C--N 1.365 1.4 0 C-N-CA 122.217 1.944 . . . . 0.0 111.494 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 90.0 p -64.97 -18.7 65.5 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.596 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.6 p -65.94 -23.1 66.54 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 32.8 pt -95.94 -2.44 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 26.7 m -125.24 164.66 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 120.628 0.251 . . . . 0.0 111.586 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 64.1 ttt-85 -136.05 113.08 10.39 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.226 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -73.02 137.31 45.3 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.179 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -147.95 -41.92 0.17 Allowed 'General case' 0 C--O 1.234 0.25 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -115.76 107.8 15.52 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.4 m -81.82 113.69 19.94 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.721 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.403 HD12 ' HB2' ' A' ' 21' ' ' PRO . 12.6 mt -86.1 -12.97 48.65 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.593 -178.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.533 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -171.28 130.9 0.77 Allowed Pre-proline 0 CA--C 1.543 0.683 0 O-C-N 123.745 0.653 . . . . 0.0 110.459 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -53.76 130.39 38.78 Favored 'Trans proline' 0 C--N 1.369 1.65 0 C-N-CA 122.549 2.166 . . . . 0.0 113.09 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -108.65 94.31 0.84 Allowed Glycine 0 C--N 1.335 0.523 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.8 ptpp? -142.97 33.3 1.37 Allowed 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.3 t -116.64 132.32 66.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.912 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -98.91 117.83 34.29 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.87 0.367 . . . . 0.0 111.537 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 39.0 t -126.66 128.39 71.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.063 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -78.11 161.42 27.41 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.615 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.8 p -81.07 172.01 14.24 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.639 0.256 . . . . 0.0 111.207 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.59 -177.8 3.24 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.517 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -74.6 -40.37 61.61 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.409 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 62.5 m95 -76.71 -2.83 34.92 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.467 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -79.45 149.91 31.42 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 58.82 25.8 13.99 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.615 0.766 . . . . 0.0 111.102 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 15.8 t80 . . . . . 0 N--CA 1.465 0.325 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.423 -179.66 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.625 0 CA-C-O 119.691 -0.505 . . . . 0.0 112.703 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -80.85 105.61 1.7 Allowed 'Trans proline' 0 C--N 1.363 1.306 0 C-N-CA 122.544 2.163 . . . . 0.0 111.933 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 42.8 mtm -117.11 166.07 13.93 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.463 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.72 154.0 22.29 Favored 'Trans proline' 0 C--N 1.378 2.109 0 C-N-CA 122.464 2.109 . . . . 0.0 112.554 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -74.28 171.93 12.75 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.476 0.655 . . . . 0.0 112.117 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.462 ' HB3' ' HZ ' ' A' ' 105' ' ' PHE . 4.8 tp -127.79 -31.89 2.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.22 -178.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.23 -176.38 4.59 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.621 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -124.74 -42.38 2.07 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 65.3 mtt85 -134.87 157.51 46.63 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.655 0.264 . . . . 0.0 111.193 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.609 ' HB3' HD23 ' A' ' 53' ' ' LEU . 21.4 pttm -138.02 165.37 26.74 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.641 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.5 mt -111.77 110.13 20.33 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.759 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 62.0 m -106.49 175.89 5.35 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 123.567 0.542 . . . . 0.0 111.045 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.459 ' HB1' ' HG2' ' A' ' 92' ' ' LYS . . . -89.8 -26.42 20.58 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.414 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -136.55 169.99 16.79 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.19 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -67.91 -22.14 65.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.178 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -89.36 -13.96 36.69 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.503 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.1 m 58.72 26.06 14.15 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.617 0.722 . . . . 0.0 109.964 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.3 t -101.39 0.09 36.37 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 114.792 -1.094 . . . . 0.0 111.035 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -101.79 145.94 31.37 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.629 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.457 ' HB2' HD12 ' A' ' 91' ' ' LEU . 36.2 Cg_endo -91.01 117.38 0.53 Allowed 'Trans proline' 0 C--N 1.366 1.476 0 C-N-CA 122.871 2.38 . . . . 0.0 111.717 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.4 mt -63.84 -64.73 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.245 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.0 m -139.46 142.48 37.37 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.041 0.448 . . . . 0.0 111.809 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -89.88 113.59 25.22 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.275 -0.875 . . . . 0.0 108.891 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.34 146.23 38.65 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.118 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.7 t -97.47 142.37 14.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.38 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.6 133.81 34.41 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.323 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.457 HD21 ' HB2' ' A' ' 86' ' ' ARG . 3.2 mm? -97.45 -16.88 19.96 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -179.118 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -148.94 178.21 8.89 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -86.83 149.82 24.56 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.174 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -151.37 124.58 8.77 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.536 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.492 ' HA ' HG23 ' A' ' 40' ' ' THR . 26.4 mmt -106.53 130.43 54.31 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . . . -112.78 130.33 23.58 Favored Pre-proline 0 C--O 1.234 0.289 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 1.1 Cg_endo -84.58 -61.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.362 1.285 0 C-N-CA 122.989 2.46 . . . . 0.0 112.618 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.409 ' OD1' ' HB2' ' A' ' 37' ' ' ARG . 2.1 p30 -92.12 170.97 9.41 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -179.228 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 33.6 t -66.24 -15.14 62.95 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.972 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.459 ' NH2' HD13 ' A' ' 7' ' ' LEU . 32.5 mtp180 -69.84 -21.07 63.4 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.658 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -121.9 156.86 32.45 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.591 -0.444 . . . . 0.0 111.479 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.9 mt -108.91 141.43 40.98 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.617 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.492 HG23 ' HA ' ' A' ' 32' ' ' MET . 31.9 m -89.18 108.96 19.9 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.1 mt -114.45 147.91 17.6 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.151 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -111.18 156.44 21.42 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.154 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -65.67 115.23 5.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.625 -178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.34 -0.57 53.81 Favored Glycine 0 C--N 1.339 0.722 0 C-N-CA 121.009 -0.615 . . . . 0.0 113.994 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -80.78 164.31 22.82 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 117.587 0.694 . . . . 0.0 111.788 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.3 t -98.07 116.18 40.09 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.117 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.533 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.7 t -112.42 128.15 69.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.632 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -97.63 120.41 37.96 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.762 -0.199 . . . . 0.0 110.514 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.0 t -86.18 120.91 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -99.94 -32.33 11.03 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.415 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 77.6 p -149.96 160.52 43.54 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -179.367 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -125.81 108.87 11.89 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.496 -0.775 . . . . 0.0 108.91 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.609 HD23 ' HB3' ' A' ' 11' ' ' LYS . 52.3 mt -67.62 155.74 38.46 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -178.397 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -132.81 -172.87 3.03 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.576 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.12 -104.21 2.94 Favored Glycine 0 C--N 1.339 0.749 0 C-N-CA 121.32 -0.467 . . . . 0.0 112.476 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.8 ptt-85 -103.04 -3.56 25.8 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.583 0.23 . . . . 0.0 110.802 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -133.6 53.65 0.79 Allowed Glycine 0 C--N 1.337 0.611 0 C-N-CA 121.186 -0.531 . . . . 0.0 112.512 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -72.49 -13.42 61.42 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 179.69 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.589 ' H ' HD23 ' A' ' 59' ' ' LEU . 1.2 pt? -95.23 5.2 52.41 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.715 179.211 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -107.48 120.35 41.93 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.048 0.451 . . . . 0.0 110.967 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 36.8 m0 -110.99 127.91 55.68 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.99 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.93 160.84 24.33 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.696 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 162.26 -153.52 24.2 Favored Glycine 0 C--N 1.334 0.423 0 N-CA-C 112.237 -0.345 . . . . 0.0 112.237 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.4 m -149.49 130.87 14.7 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.3 p -90.64 136.02 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.704 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 . . . . . 0 CA--C 1.532 0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.339 179.696 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.717 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.87 -38.62 86.65 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.698 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 -78.57 90.45 4.53 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.555 0.693 . . . . 0.0 109.986 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.98 125.86 27.65 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.239 -178.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -119.44 167.0 13.28 Favored Glycine 0 C--N 1.337 0.588 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.81 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -115.41 156.16 26.08 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.954 0.377 . . . . 0.0 111.065 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -152.14 153.58 31.32 Favored Pre-proline 0 CA--C 1.541 0.624 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.821 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -72.08 132.61 19.95 Favored 'Trans proline' 0 C--N 1.367 1.541 0 C-N-CA 122.369 2.046 . . . . 0.0 112.192 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 99.6 p -65.53 -22.07 66.68 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.333 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.8 t -66.25 -21.18 66.28 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.0 pt -99.35 0.64 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.1 m -119.6 156.1 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 120.801 0.334 . . . . 0.0 111.519 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.457 ' HB2' HD21 ' A' ' 28' ' ' LEU . 39.0 ttm180 -134.79 108.7 8.1 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.366 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -70.83 119.2 14.61 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.786 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -107.28 -39.5 5.67 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.328 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.87 144.06 41.2 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.722 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.4 m -102.92 120.68 41.05 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.457 HD12 ' HB2' ' A' ' 21' ' ' PRO . 12.0 mt -86.52 -27.1 24.21 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.753 -178.141 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.459 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -159.57 133.39 5.04 Favored Pre-proline 0 CA--C 1.543 0.703 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.585 -179.566 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.4 ' HD2' ' HG3' ' A' ' 92' ' ' LYS . 87.1 Cg_exo -55.31 127.53 26.64 Favored 'Trans proline' 0 C--N 1.369 1.644 0 C-N-CA 123.164 2.576 . . . . 0.0 113.643 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.427 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -103.31 81.07 0.35 Allowed Glycine 0 C--N 1.335 0.473 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.586 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -128.71 30.67 5.08 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.2 t -115.01 135.63 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.012 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -106.89 111.74 24.38 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.889 0.376 . . . . 0.0 111.093 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 33.7 t -125.49 129.76 72.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.16 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -78.9 162.94 25.68 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.59 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 75.3 p -87.52 143.7 27.08 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.072 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -101.57 -122.03 0.17 Allowed 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.08 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.01 -15.86 8.17 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 118.455 0.57 . . . . 0.0 111.459 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -85.27 -2.61 58.25 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.16 0.288 . . . . 0.0 111.592 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.82 -36.45 56.87 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.709 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.462 ' HZ ' ' HB3' ' A' ' 7' ' ' LEU . 65.6 m-85 -121.97 52.53 1.27 Allowed 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.659 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.9 t80 . . . . . 0 C--O 1.235 0.29 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.272 -179.628 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.558 0 CA-C-O 119.452 -0.638 . . . . 0.0 112.241 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -80.0 121.72 4.57 Favored 'Trans proline' 0 C--N 1.359 1.095 0 C-N-CA 122.416 2.077 . . . . 0.0 112.606 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.74 178.53 1.62 Allowed Pre-proline 0 CA--C 1.556 1.208 0 CA-C-O 118.052 -0.975 . . . . 0.0 108.876 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -47.12 146.57 6.23 Favored 'Trans proline' 0 C--N 1.383 2.376 0 C-N-CA 122.738 2.292 . . . . 0.0 114.144 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.414 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -90.29 -5.07 56.71 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.056 -0.974 . . . . 0.0 112.191 -179.267 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 73.09 -37.96 0.4 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.043 0.937 . . . . 0.0 112.641 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.89 -169.75 3.45 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.246 0.218 . . . . 0.0 111.244 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -124.11 -41.17 2.22 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.433 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.434 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 10.4 mpt_? -123.75 151.27 43.42 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.776 0.322 . . . . 0.0 111.047 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -127.9 173.05 10.32 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.77 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.6 mt -123.28 120.5 33.28 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.981 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.422 ' HA ' HD11 ' A' ' 22' ' ' ILE . 74.4 m -122.67 176.05 6.17 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.738 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.52 ' HB1' ' HG2' ' A' ' 92' ' ' LYS . . . -80.44 -41.66 24.08 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.965 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -124.63 172.48 9.22 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.57 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -68.49 -20.95 64.63 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.62 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -88.76 -17.51 29.68 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.678 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.8 t 56.9 29.89 17.01 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.781 0.8 . . . . 0.0 109.851 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.3 t -94.19 -6.76 44.02 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 114.625 -1.171 . . . . 0.0 110.899 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -100.01 147.51 33.57 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.6 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.409 ' HB2' HD12 ' A' ' 91' ' ' LEU . 33.9 Cg_endo -91.43 123.32 0.77 Allowed 'Trans proline' 0 C--N 1.367 1.504 0 C-N-CA 122.883 2.389 . . . . 0.0 111.955 179.137 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.422 HD11 ' HA ' ' A' ' 13' ' ' CYS . 59.2 mt -68.21 -64.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.245 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.6 t -138.2 137.37 37.51 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.124 0.488 . . . . 0.0 112.223 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.431 ' HB2' HD11 ' A' ' 91' ' ' LEU . 16.4 tmm? -89.56 117.95 28.84 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.22 150.65 39.07 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -177.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.9 t -103.66 133.02 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.312 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.8 134.34 47.3 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.413 HD11 ' HB2' ' A' ' 86' ' ' ARG . 74.9 mt -101.05 -15.7 17.35 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.463 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -152.24 -177.23 6.06 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -92.4 151.82 20.05 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.491 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -151.68 135.35 16.28 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.499 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 92.0 mtp -107.17 132.88 52.54 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.442 0.464 . . . . 0.0 110.425 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . . . -92.44 116.29 66.24 Favored Pre-proline 0 CA--C 1.537 0.456 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 6.3 Cg_exo -79.43 -60.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.365 1.408 0 C-N-CA 122.793 2.329 . . . . 0.0 111.829 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -90.71 165.38 13.72 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.182 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 39.5 m -62.89 -26.72 68.92 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.614 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -67.41 -22.53 65.53 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -99.5 160.22 14.45 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.9 mt -114.59 141.66 47.46 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.949 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 93.8 m -89.92 116.16 27.77 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.5 mt -121.61 137.63 54.61 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.208 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -100.99 156.18 17.55 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.499 178.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -62.93 113.38 3.04 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.441 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.12 3.77 41.67 Favored Glycine 0 C--N 1.34 0.752 0 C-N-CA 121.026 -0.607 . . . . 0.0 114.413 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -81.97 146.2 29.87 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 117.928 0.864 . . . . 0.0 111.723 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.3 t -83.99 115.89 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.593 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.501 HG22 HG23 ' A' ' 65' ' ' VAL . 5.5 t -124.78 126.27 71.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-O 120.67 0.271 . . . . 0.0 110.848 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -92.88 137.08 32.68 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.745 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.4 HG22 ' HZ ' ' A' ' 80' ' ' PHE . 37.3 t -97.66 132.35 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.261 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -116.76 -37.28 3.68 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.719 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.1 p -136.07 148.34 48.26 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -125.71 112.83 16.55 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.185 178.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.3 mt -69.97 145.4 51.88 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -115.91 -176.62 2.98 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.91 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.84 -126.71 7.92 Favored Glycine 0 C--N 1.339 0.718 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.695 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.5 ptt-85 -78.22 -12.68 60.01 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.585 0.231 . . . . 0.0 111.365 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -119.55 53.99 0.66 Allowed Glycine 0 C--N 1.336 0.542 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.16 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -15.67 62.56 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 122.271 0.228 . . . . 0.0 111.553 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.553 ' H ' HD23 ' A' ' 59' ' ' LEU . 1.1 pt? -100.06 7.71 44.49 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.936 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -107.22 119.84 40.48 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.504 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 32.9 m0 -111.72 -171.87 1.93 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.856 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.468 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -166.42 157.63 30.2 Favored Glycine 0 C--N 1.336 0.582 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.38 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 171.61 -148.58 11.12 Favored Glycine 0 C--N 1.333 0.383 0 N-CA-C 112.09 -0.404 . . . . 0.0 112.09 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.3 p -133.45 138.63 46.28 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.501 HG23 HG22 ' A' ' 47' ' ' VAL . 7.6 p -90.6 126.43 43.38 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 121.235 0.541 . . . . 0.0 111.739 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 . . . . . 0 CA--C 1.537 0.457 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.038 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.522 0.201 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.93 -19.57 17.98 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.651 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.45 0.77 21.19 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.836 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.4 mt 57.79 -179.9 0.06 Allowed 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.44 -176.48 38.24 Favored Glycine 0 C--N 1.337 0.586 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.364 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.468 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 99.0 m-85 -134.89 147.64 49.89 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 117.097 0.448 . . . . 0.0 111.029 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.4 ' HZ ' HG22 ' A' ' 49' ' ' VAL . 40.4 p90 -152.71 158.13 33.22 Favored Pre-proline 0 CA--C 1.546 0.818 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.372 -178.382 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -76.97 135.82 15.93 Favored 'Trans proline' 0 C--N 1.368 1.6 0 C-N-CA 122.454 2.103 . . . . 0.0 111.962 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 97.0 p -65.91 -19.76 65.98 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.6 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.4 p -66.86 -16.84 64.57 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.9 pt -102.45 2.21 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.7 m -119.15 155.24 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.413 ' HB2' HD11 ' A' ' 28' ' ' LEU . 55.7 ttt180 -120.87 112.49 18.86 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.025 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -85.85 140.41 30.44 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.762 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -153.64 -30.69 0.12 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.759 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -122.88 119.67 31.21 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.4 m -102.38 115.88 31.47 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' ' 24' ' ' MET . 8.7 mt -86.04 -19.2 30.64 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -177.391 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.52 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -168.08 131.81 1.39 Allowed Pre-proline 0 N--CA 1.473 0.703 0 O-C-N 123.357 0.41 . . . . 0.0 110.993 -179.377 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -57.21 129.06 32.24 Favored 'Trans proline' 0 C--N 1.371 1.723 0 C-N-CA 123.029 2.486 . . . . 0.0 113.574 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -105.7 82.45 0.33 Allowed Glycine 0 C--N 1.333 0.39 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 179.002 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.2 ptpp? -125.12 29.49 6.09 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 53.4 t -115.93 133.95 60.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -103.11 117.05 33.68 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.906 0.384 . . . . 0.0 111.258 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.8 t -123.44 133.02 70.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.865 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.434 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 24.3 pttm -80.07 163.74 23.93 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.433 0.159 . . . . 0.0 110.821 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.0 p -94.72 157.84 15.78 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.423 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -111.14 -172.1 1.96 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.547 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.27 -17.73 51.34 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.766 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -76.33 -22.53 54.83 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.764 0.316 . . . . 0.0 110.385 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.21 139.82 38.94 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.854 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.407 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 80.9 m-85 58.23 46.05 16.34 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 123.951 0.782 . . . . 0.0 111.127 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 10.5 t80 . . . . . 0 C--O 1.235 0.306 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.113 179.912 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.358 0 N-CA-C 111.685 -0.566 . . . . 0.0 111.685 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -84.38 125.65 3.48 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 122.267 1.978 . . . . 0.0 113.229 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.503 ' HG3' HH21 ' A' ' 37' ' ' ARG . 4.6 ppp? -128.44 155.68 78.24 Favored Pre-proline 0 CA--C 1.542 0.639 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.172 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -50.16 131.07 30.07 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.864 2.376 . . . . 0.0 113.52 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -56.75 134.49 54.97 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.615 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.4 tp -78.93 -34.83 44.19 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.17 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.62 169.83 18.18 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.834 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -110.03 -53.66 2.65 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.16 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -117.16 148.61 41.44 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.931 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.1 pttt -127.73 176.55 7.45 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.042 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.3 mt -120.61 119.76 33.81 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.517 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 57.2 m -125.86 175.91 7.33 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.671 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.16 -39.2 34.06 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.087 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -128.79 172.45 11.27 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -67.53 -19.66 65.33 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.034 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -88.72 -19.41 26.14 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.786 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.6 t 56.08 30.91 17.16 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.828 0.823 . . . . 0.0 109.956 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.5 t -100.73 17.07 22.92 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.468 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.402 ' ND1' ' HD3' ' A' ' 92' ' ' LYS . 8.8 m170 -121.36 148.5 49.93 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.789 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.447 ' HB2' HD12 ' A' ' 91' ' ' LEU . 31.0 Cg_endo -90.01 119.99 0.84 Allowed 'Trans proline' 0 C--N 1.365 1.412 0 C-N-CA 122.696 2.264 . . . . 0.0 111.912 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.1 mt -62.83 -64.34 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.043 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.4 m -141.47 145.92 35.83 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.088 0.471 . . . . 0.0 112.021 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -89.53 114.62 26.18 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.244 -0.889 . . . . 0.0 108.82 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.52 143.39 45.66 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.957 0.408 . . . . 0.0 111.974 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.5 t -96.59 136.23 28.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.127 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.41 133.74 39.8 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.943 0.402 . . . . 0.0 111.628 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.3 mt -100.12 -16.62 17.77 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.163 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -153.24 -175.91 5.55 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.36 155.59 17.15 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.947 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -151.32 146.64 26.15 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.815 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -115.47 137.45 52.04 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.012 0.195 . . . . 0.0 110.629 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.14 111.3 46.03 Favored Pre-proline 0 CA--C 1.538 0.512 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -75.21 -59.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.365 1.42 0 C-N-CA 122.666 2.244 . . . . 0.0 112.785 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -91.04 170.96 9.6 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.214 0.531 . . . . 0.0 112.377 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.4 p -62.74 -24.4 67.68 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.601 HH11 ' HB3' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -99.54 16.44 23.31 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -178.202 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.454 ' HA ' ' H ' ' A' ' 79' ' ' TYR . 1.8 m-85 -109.51 163.58 13.3 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.416 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.739 HD21 HG23 ' A' ' 65' ' ' VAL . 54.2 tp -124.35 136.58 54.2 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -177.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.8 m -89.74 128.85 36.18 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.386 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 54.5 mt -128.29 149.06 32.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.79 -178.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -116.18 151.02 36.51 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -60.77 115.17 3.46 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.29 0.368 . . . . 0.0 111.698 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.14 6.72 44.9 Favored Glycine 0 C--N 1.339 0.728 0 CA-C-N 115.859 -0.609 . . . . 0.0 114.295 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -87.61 149.0 24.58 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 117.796 0.798 . . . . 0.0 112.21 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.1 t -80.63 117.0 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.072 0 CA-C-N 115.03 -0.986 . . . . 0.0 108.914 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.539 HG22 HG22 ' A' ' 65' ' ' VAL . 12.9 t -122.63 117.07 50.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.558 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -87.78 122.71 31.77 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.199 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.6 t -86.65 131.73 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -112.75 -33.16 6.19 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.0 p -146.93 148.37 31.7 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.8 mttm -120.57 114.03 21.13 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.6 mt -65.22 150.04 48.9 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -177.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -118.09 -41.2 2.9 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.017 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -66.97 100.83 0.59 Allowed Glycine 0 C--N 1.341 0.836 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.534 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.2 ptt85 43.88 25.02 0.08 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.995 1.318 . . . . 0.0 113.35 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -110.61 -58.69 0.49 Allowed Glycine 0 C--N 1.336 0.566 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 52.05 -74.89 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.145 1.378 . . . . 0.0 113.454 178.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 74.1 mt -75.94 -10.13 59.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.641 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -88.86 118.82 28.84 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.174 0.511 . . . . 0.0 110.783 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 52.6 m0 -110.45 -175.59 2.76 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.422 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -162.5 142.25 7.8 Favored Glycine 0 C--N 1.337 0.616 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.713 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.4 -147.08 6.52 Favored Glycine 0 C--N 1.337 0.635 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.777 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.6 p -136.08 169.58 17.38 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.584 0.226 . . . . 0.0 110.763 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.739 HG23 HD21 ' A' ' 39' ' ' LEU . 73.2 t -116.29 126.73 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.536 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 . . . . . 0 CA--C 1.537 0.473 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.093 178.398 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.27 0 CA-C-O 120.677 0.275 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.56 -176.59 4.35 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.421 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 37.34 82.58 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.161 0.984 . . . . 0.0 112.816 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.6 mt -59.1 123.94 18.28 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.768 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.474 ' HA3' ' HB2' ' A' ' 39' ' ' LEU . . . -117.69 167.62 12.82 Favored Glycine 0 C--N 1.333 0.4 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.669 -179.099 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.454 ' H ' ' HA ' ' A' ' 38' ' ' PHE . 17.7 m-85 -104.68 150.46 24.7 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.834 0.35 . . . . 0.0 110.98 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -152.37 151.15 26.79 Favored Pre-proline 0 CA--C 1.542 0.636 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.652 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.483 ' O ' HG12 ' A' ' 84' ' ' ILE . 11.2 Cg_exo -71.86 142.23 38.71 Favored 'Trans proline' 0 C--N 1.366 1.464 0 C-N-CA 122.264 1.976 . . . . 0.0 111.784 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 94.6 p -66.3 -22.09 66.28 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.212 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.5 p -67.58 -19.3 65.24 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.518 HG13 HG13 ' A' ' 85' ' ' VAL . 21.6 pt -92.58 -3.68 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 C-N-CA 120.42 -0.512 . . . . 0.0 112.214 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.518 HG13 HG13 ' A' ' 84' ' ' ILE . 33.9 m -126.46 168.19 19.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 120.964 0.411 . . . . 0.0 111.858 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -139.52 117.45 11.72 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.129 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -76.39 129.72 37.0 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.905 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -122.06 -35.04 3.23 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.465 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -143.89 140.78 29.94 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.103 0.252 . . . . 0.0 111.591 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 55.8 m -101.91 125.63 48.63 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.898 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.447 HD12 ' HB2' ' A' ' 21' ' ' PRO . 20.2 mt -87.19 -24.86 24.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.168 -179.101 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.402 ' HD3' ' ND1' ' A' ' 20' ' ' HIS . 0.6 OUTLIER -166.5 136.85 2.63 Favored Pre-proline 0 N--CA 1.469 0.497 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.482 179.06 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -62.79 123.72 12.81 Favored 'Trans proline' 0 C--N 1.366 1.493 0 C-N-CA 122.837 2.358 . . . . 0.0 113.252 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -100.42 89.92 0.87 Allowed Glycine 0 C--N 1.335 0.526 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.89 33.52 2.65 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 49.0 t -120.34 114.8 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.957 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -78.8 115.32 18.41 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.335 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 24.7 t -125.01 126.36 71.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.095 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -76.43 160.52 29.46 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.824 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 62.5 p -101.55 163.62 12.17 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.142 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -109.25 -177.53 3.32 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.527 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -77.69 -22.87 49.83 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.521 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 76.2 m95 -76.99 -14.28 59.86 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.439 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -80.93 -26.64 36.55 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -119.0 43.69 2.51 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.178 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 9.7 t80 . . . . . 0 N--CA 1.466 0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.461 179.833 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.605 0 CA-C-O 119.757 -0.468 . . . . 0.0 112.946 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -78.89 110.52 2.8 Favored 'Trans proline' 0 C--N 1.363 1.326 0 C-N-CA 122.502 2.135 . . . . 0.0 111.867 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.7 ptm -142.74 149.52 50.4 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.327 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -89.12 167.31 5.51 Favored 'Trans proline' 0 C--N 1.362 1.24 0 C-N-CA 122.969 2.446 . . . . 0.0 113.461 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.824 ' HD3' HD11 ' A' ' 53' ' ' LEU . 3.9 mtpt -90.43 -160.65 0.72 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.644 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.591 HD22 ' H ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -92.29 -22.58 19.66 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.479 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.459 ' HB3' HD13 ' A' ' 53' ' ' LEU . . . -115.32 -162.92 0.85 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.204 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -139.86 -20.76 0.89 Allowed 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.478 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 0.7 OUTLIER -128.95 149.24 50.89 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 120.722 0.296 . . . . 0.0 111.139 178.823 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.526 ' HB3' HD23 ' A' ' 53' ' ' LEU . 20.7 pttp -127.82 173.29 10.09 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.583 -179.486 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.3 mt -126.97 119.99 28.01 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.075 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.495 ' HA ' HD11 ' A' ' 22' ' ' ILE . 81.1 m -122.44 174.56 6.96 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.707 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -78.19 -31.16 49.38 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.214 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -145.02 173.85 11.54 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.971 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -64.41 -20.08 65.92 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.893 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -88.44 -22.25 23.8 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.766 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.4 t 57.6 28.58 15.87 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.833 0.825 . . . . 0.0 109.557 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.2 t -93.21 -9.62 38.6 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.969 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -96.18 147.25 32.68 Favored Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.45 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -89.77 120.39 0.92 Allowed 'Trans proline' 0 C--N 1.366 1.495 0 C-N-CA 122.787 2.325 . . . . 0.0 111.516 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.495 HD11 ' HA ' ' A' ' 13' ' ' CYS . 57.2 mt -66.17 -65.4 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.138 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.513 -179.149 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.8 m -138.98 141.37 38.38 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.154 0.502 . . . . 0.0 112.024 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.8 tmm? -90.12 114.64 26.61 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.642 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.61 145.45 42.69 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.2 t -95.37 141.53 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.603 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.72 135.57 34.08 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.27 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -100.35 -18.19 16.9 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -150.71 179.72 7.96 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -87.58 154.17 20.82 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.375 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -151.09 129.09 11.75 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.411 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 65.5 mtt -106.14 127.79 53.45 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 123.408 0.442 . . . . 0.0 110.508 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.97 120.27 61.85 Favored Pre-proline 0 CA--C 1.535 0.376 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -79.72 -64.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.363 1.331 0 C-N-CA 122.577 2.185 . . . . 0.0 111.729 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -91.93 169.9 10.29 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.445 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.8 t -64.73 -13.87 56.41 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.609 ' HD2' ' HG2' ' A' ' 6' ' ' LYS . 54.0 ttp85 -76.72 -30.04 56.48 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 117.894 0.315 . . . . 0.0 111.054 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -94.05 159.5 15.13 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.002 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.2 tp -119.14 139.11 52.35 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.93 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.9 m -88.48 121.18 30.58 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 64.3 mt -127.76 141.1 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.3 -178.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -103.34 154.68 19.12 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.405 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -64.29 122.57 16.97 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.797 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.74 -4.67 63.71 Favored Glycine 0 C--N 1.337 0.584 0 C-N-CA 121.089 -0.577 . . . . 0.0 114.073 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -80.94 152.63 27.95 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 117.468 0.634 . . . . 0.0 111.888 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.6 t -89.52 126.59 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-N 115.234 -0.893 . . . . 0.0 109.742 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.553 HG22 HG23 ' A' ' 65' ' ' VAL . 7.0 t -127.35 129.21 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.677 0.275 . . . . 0.0 110.969 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -95.37 126.47 40.7 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.585 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.3 t -90.23 130.17 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.329 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -111.23 -36.25 5.65 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.766 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 62.0 p -136.13 146.35 46.85 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -130.72 111.45 12.18 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.405 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.824 HD11 ' HD3' ' A' ' 6' ' ' LYS . 58.4 mt -70.9 156.13 39.96 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.449 0.166 . . . . 0.0 111.21 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -137.18 170.29 16.35 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.054 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.42 -98.45 2.09 Favored Glycine 0 C--N 1.336 0.576 0 CA-C-N 115.955 -0.566 . . . . 0.0 113.213 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.3 mmm-85 -73.7 -34.61 64.91 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 122.307 0.243 . . . . 0.0 111.295 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.3 60.24 0.68 Allowed Glycine 0 C--N 1.334 0.45 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.238 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -11.08 60.74 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 66.2 mt -101.76 6.58 41.8 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.091 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -113.04 124.02 51.64 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.192 0.52 . . . . 0.0 111.531 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 45.3 m0 -111.57 -171.81 1.91 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.813 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.505 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -166.49 156.55 28.51 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.413 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 167.21 -153.37 22.87 Favored Glycine 0 C--N 1.338 0.644 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.46 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 86.3 p -126.62 142.4 51.55 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.497 0.189 . . . . 0.0 110.604 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.553 HG23 HG22 ' A' ' 47' ' ' VAL . 7.2 p -92.29 124.36 44.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 121.289 0.566 . . . . 0.0 111.6 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 . . . . . 0 C--O 1.233 0.202 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.142 179.463 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.334 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.15 -42.89 79.4 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.593 0.235 . . . . 0.0 110.663 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -82.91 118.67 23.62 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.392 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.4 tp -98.56 133.78 42.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.599 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -135.42 -168.94 11.72 Favored Glycine 0 C--N 1.338 0.686 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.793 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.505 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 65.1 m-85 -131.09 152.46 50.36 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.58 0.229 . . . . 0.0 110.808 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -150.64 151.42 30.56 Favored Pre-proline 0 CA--C 1.542 0.642 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.348 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.402 ' O ' HG12 ' A' ' 84' ' ' ILE . 7.4 Cg_exo -73.45 139.5 28.75 Favored 'Trans proline' 0 C--N 1.369 1.623 0 C-N-CA 122.467 2.111 . . . . 0.0 111.908 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 98.5 p -64.15 -20.07 65.73 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.893 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.3 t -65.42 -20.66 66.47 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.462 HG13 HG13 ' A' ' 85' ' ' VAL . 32.0 pt -96.78 -3.56 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.462 HG13 HG13 ' A' ' 84' ' ' ILE . 20.1 m -124.39 169.56 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 121.083 0.468 . . . . 0.0 111.928 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -142.96 115.24 8.44 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.018 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -62.77 134.38 56.18 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.936 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -117.82 -46.02 2.66 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.063 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.72 135.02 19.41 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.1 m -88.87 120.98 30.77 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.8 mt -86.07 -30.98 22.19 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.402 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -154.98 127.31 3.96 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.565 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -53.24 128.16 28.03 Favored 'Trans proline' 0 C--N 1.37 1.691 0 C-N-CA 122.806 2.337 . . . . 0.0 113.877 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -103.98 91.49 0.82 Allowed Glycine 0 C--N 1.335 0.488 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -132.85 28.67 4.19 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 41.3 t -117.03 133.68 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.29 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -101.29 120.03 39.64 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.904 0.383 . . . . 0.0 111.298 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.447 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 15.4 t -128.0 127.83 68.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.546 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.478 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -79.63 167.29 20.89 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.596 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.2 p -108.29 130.54 55.18 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.716 0.293 . . . . 0.0 111.218 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -102.29 -112.41 0.21 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.848 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.84 -3.26 4.66 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.415 0.552 . . . . 0.0 111.756 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -92.98 -9.66 39.11 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.675 0.274 . . . . 0.0 110.814 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -79.69 -28.2 40.67 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.281 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -143.48 83.88 1.79 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.326 0.584 . . . . 0.0 111.866 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.9 t80 . . . . . 0 CA--C 1.535 0.377 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.549 179.36 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.449 0 CA-C-O 119.712 -0.493 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -83.43 107.18 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 C-N-CA 122.574 2.182 . . . . 0.0 112.551 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.87 176.29 1.58 Allowed Pre-proline 0 CA--C 1.553 1.082 0 CA-C-O 118.249 -0.882 . . . . 0.0 108.856 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -49.25 147.46 11.65 Favored 'Trans proline' 0 C--N 1.382 2.308 0 C-N-CA 122.349 2.033 . . . . 0.0 113.342 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.495 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 4.6 mptt -63.75 -38.54 91.49 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.104 -179.083 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 6' ' ' LYS . 1.1 pp 56.39 5.31 0.18 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.879 1.272 . . . . 0.0 113.554 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -163.73 174.13 12.01 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 122.471 0.309 . . . . 0.0 110.964 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -139.44 -53.04 0.55 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.145 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.458 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 1.4 mpp_? -127.69 151.14 49.34 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.473 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.468 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 56.8 pttt -119.78 165.53 14.44 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.008 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.0 mt -114.47 113.48 24.53 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.556 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.597 ' HA ' HD11 ' A' ' 22' ' ' ILE . 59.0 m -118.03 174.45 6.2 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.786 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.453 ' HB1' ' HG2' ' A' ' 92' ' ' LYS . . . -83.44 -30.56 27.18 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.326 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -140.88 174.79 10.18 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.016 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -67.5 -19.24 65.29 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.979 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -88.59 -20.52 24.88 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.574 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.1 t 56.04 30.74 16.76 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.904 0.859 . . . . 0.0 109.918 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.0 t -96.11 -4.18 43.25 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.948 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -106.28 147.53 35.04 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.736 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -90.82 130.13 1.45 Allowed 'Trans proline' 0 C--N 1.365 1.428 0 C-N-CA 122.991 2.461 . . . . 0.0 111.858 179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.597 HD11 ' HA ' ' A' ' 13' ' ' CYS . 5.2 mp -73.29 -62.89 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.117 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.343 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.2 m -132.62 144.01 50.07 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 25.5 ttp -93.62 109.73 21.35 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 87' ' ' GLU . . . -108.67 144.4 36.48 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.063 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.4 t -98.61 137.53 25.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.739 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.3 127.71 33.06 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 123.236 0.335 . . . . 0.0 111.452 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.0 mt -93.84 -17.54 22.97 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.414 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -153.55 -175.54 5.41 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.58 153.74 17.68 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.634 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -151.35 146.85 26.28 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.111 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.4 ' HA ' HG23 ' A' ' 40' ' ' THR . 26.4 mmt -117.79 142.61 47.1 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.39 106.63 14.36 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -78.98 -47.11 0.1 OUTLIER 'Trans proline' 0 C--N 1.367 1.506 0 C-N-CA 122.811 2.341 . . . . 0.0 112.166 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -89.16 161.86 16.25 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.568 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 36.7 t -63.72 -31.84 73.14 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.258 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.418 ' NH1' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -88.22 -0.09 56.71 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -89.3 169.16 11.66 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.622 0.249 . . . . 0.0 111.299 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.699 HD21 HG23 ' A' ' 65' ' ' VAL . 52.9 tp -128.71 137.6 51.69 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.82 -178.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.4 HG23 ' HA ' ' A' ' 32' ' ' MET . 42.5 m -91.09 127.98 36.73 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.69 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.8 mt -126.97 150.54 32.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.86 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -117.62 150.24 39.35 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -62.01 117.77 6.4 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.684 0.278 . . . . 0.0 111.52 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.58 -2.82 36.62 Favored Glycine 0 C--N 1.338 0.668 0 C-N-CA 120.927 -0.654 . . . . 0.0 114.1 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -83.08 144.53 29.83 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 117.663 0.732 . . . . 0.0 111.712 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.3 t -83.64 124.04 39.31 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.409 HG22 HG22 ' A' ' 65' ' ' VAL . 6.1 t -125.01 118.19 52.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 120.956 0.407 . . . . 0.0 111.345 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -86.03 123.49 31.4 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.936 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 36.9 t -87.49 122.16 38.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.395 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -103.52 -22.21 13.65 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.468 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 69.4 p -154.93 141.87 19.18 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -119.76 112.58 19.44 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.083 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.5 mt -68.3 151.84 46.32 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -120.07 179.78 4.17 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.826 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.47 -121.56 5.55 Favored Glycine 0 C--N 1.339 0.728 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.504 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -76.91 -19.02 57.91 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.696 0.284 . . . . 0.0 110.93 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -105.12 47.25 1.08 Allowed Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.947 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -66.27 -26.97 67.59 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 122.707 0.403 . . . . 0.0 111.166 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.529 ' H ' HD23 ' A' ' 59' ' ' LEU . 1.2 pt? -103.6 18.79 21.1 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.063 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -115.05 117.88 31.82 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.127 0.489 . . . . 0.0 111.194 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 33.0 m0 -110.56 178.65 4.3 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.413 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -159.83 147.94 15.8 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.331 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 175.82 -153.98 16.22 Favored Glycine 0 C--N 1.335 0.505 0 C-N-CA 121.334 -0.46 . . . . 0.0 112.52 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 87.7 p -132.34 153.5 50.68 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.396 0.141 . . . . 0.0 110.668 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.699 HG23 HD21 ' A' ' 39' ' ' LEU . 91.7 t -94.76 122.39 46.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 111.59 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 . . . . . 0 C--O 1.237 0.44 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.07 177.998 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.405 0 CA-C-O 121.001 0.429 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.68 -30.94 0.11 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.487 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.94 -9.75 58.46 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.888 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.9 mt 63.9 139.91 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.244 1.017 . . . . 0.0 113.473 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.496 ' HA3' ' HB2' ' A' ' 39' ' ' LEU . . . -132.64 173.38 20.9 Favored Glycine 0 C--N 1.335 0.503 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.892 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -121.7 142.35 50.25 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.86 0.362 . . . . 0.0 110.997 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -146.85 154.93 47.95 Favored Pre-proline 0 CA--C 1.542 0.671 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.16 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.401 ' O ' HG12 ' A' ' 84' ' ' ILE . 4.8 Cg_exo -74.61 138.05 23.52 Favored 'Trans proline' 0 C--N 1.367 1.521 0 C-N-CA 122.23 1.953 . . . . 0.0 111.473 179.182 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 90.2 p -63.87 -18.15 63.88 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.859 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.4 t -65.35 -23.33 66.96 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.458 HG13 HG13 ' A' ' 85' ' ' VAL . 25.2 pt -92.39 -6.11 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.458 HG13 HG13 ' A' ' 84' ' ' ILE . 21.4 m -127.28 163.59 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -145.51 112.36 5.97 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.321 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 25' ' ' ALA . 1.0 OUTLIER -82.85 136.56 34.59 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.744 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -127.23 -21.08 3.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.432 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -133.81 116.25 15.47 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.705 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.4 m -84.31 126.66 33.4 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.223 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.6 mt -88.2 -41.01 13.25 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.075 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.453 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 1.7 tpmt? -150.76 132.79 8.0 Favored Pre-proline 0 CA--C 1.543 0.693 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.255 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.416 ' HD2' ' HG3' ' A' ' 92' ' ' LYS . 84.3 Cg_exo -48.73 126.72 15.11 Favored 'Trans proline' 0 C--N 1.374 1.888 0 C-N-CA 123.172 2.581 . . . . 0.0 113.927 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -105.43 78.14 0.26 Allowed Glycine 0 C--N 1.333 0.374 0 N-CA-C 111.251 -0.739 . . . . 0.0 111.251 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -121.31 22.88 10.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.4 t -113.7 136.66 49.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -112.93 120.22 40.65 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.799 0.333 . . . . 0.0 110.878 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.1 t -124.27 134.16 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.057 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.458 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 95.4 mttt -73.9 154.23 39.49 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.71 -0.223 . . . . 0.0 110.638 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 64.8 p -103.23 140.65 37.09 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 52.8 p30 -98.11 -170.38 1.96 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? -79.34 -8.6 59.2 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -95.24 23.84 5.48 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.789 0.328 . . . . 0.0 111.424 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -113.14 -21.62 10.93 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.354 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.411 ' HD2' HH21 ' A' ' 37' ' ' ARG . 0.4 OUTLIER -148.61 58.92 1.07 Allowed 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.214 0.531 . . . . 0.0 111.932 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 20.0 t80 . . . . . 0 N--CA 1.465 0.316 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.574 179.37 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.419 0 CA-C-O 119.708 -0.496 . . . . 0.0 112.965 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -82.78 166.11 15.31 Favored 'Trans proline' 0 C--N 1.361 1.199 0 C-N-CA 122.727 2.285 . . . . 0.0 112.258 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.613 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 1.6 pmm? -153.63 173.11 4.94 Favored Pre-proline 0 CA--C 1.546 0.821 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.317 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.613 ' HD2' ' HB2' ' A' ' 4' ' ' MET . 41.6 Cg_endo -65.72 137.23 48.95 Favored 'Trans proline' 0 C--N 1.37 1.668 0 C-N-CA 122.188 1.925 . . . . 0.0 111.64 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -66.89 129.1 38.77 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.374 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.8 mt -78.42 -29.54 47.18 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.48 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -150.17 -175.43 5.06 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.994 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -121.4 -52.17 2.05 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.07 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -123.43 161.06 25.54 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.172 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.733 ' HB3' HD23 ' A' ' 53' ' ' LEU . 38.7 pttt -141.26 177.88 7.79 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.927 -178.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.412 HD21 ' HD2' ' A' ' 54' ' ' LYS . 3.9 mm? -108.32 134.02 51.72 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.743 178.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.433 ' HA ' HD11 ' A' ' 22' ' ' ILE . 94.9 m -138.67 165.73 26.18 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 123.604 0.565 . . . . 0.0 110.438 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.431 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -79.79 -30.88 40.73 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.058 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -141.94 172.2 13.01 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.261 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -67.19 -15.37 63.66 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.392 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -89.21 -20.26 24.4 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.819 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.9 m 56.81 28.15 13.97 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 123.654 0.596 . . . . 0.0 110.199 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.1 t -96.48 -5.49 39.41 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.572 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -98.3 152.05 37.79 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.66 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.44 ' HB2' HD12 ' A' ' 91' ' ' LEU . 38.5 Cg_endo -91.65 117.64 0.48 Allowed 'Trans proline' 0 C--N 1.368 1.576 0 C-N-CA 122.755 2.303 . . . . 0.0 112.067 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.433 HD11 ' HA ' ' A' ' 13' ' ' CYS . 36.9 mt -71.01 -62.55 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 -179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.1 p -135.65 137.15 41.57 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.8 tmm? -89.59 116.02 27.42 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.05 146.33 42.27 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.142 0.496 . . . . 0.0 112.328 -178.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.7 t -99.36 137.06 27.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.206 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.34 131.88 37.19 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.225 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.0 mt -98.76 -15.32 19.36 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.63 -0.713 . . . . 0.0 112.579 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -153.37 179.71 8.52 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -89.08 151.78 22.03 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.457 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -151.57 130.39 12.44 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.823 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -105.08 133.57 49.64 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.09 112.33 44.77 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -78.66 -52.4 0.06 OUTLIER 'Trans proline' 0 C--N 1.365 1.413 0 C-N-CA 122.473 2.115 . . . . 0.0 111.774 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -90.92 162.68 14.66 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.664 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.8 t -62.7 -31.93 72.93 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.323 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -77.49 -13.48 59.91 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -91.04 157.55 17.19 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.614 0.245 . . . . 0.0 111.369 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.4 mt -113.56 143.97 43.65 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.33 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 37.5 m -94.49 112.08 23.85 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.1 mt -113.8 146.68 18.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.938 -177.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -110.96 151.84 27.48 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.009 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -64.32 120.29 11.92 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.533 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.34 -7.69 51.59 Favored Glycine 0 C--N 1.338 0.664 0 C-N-CA 120.992 -0.623 . . . . 0.0 113.994 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -79.26 151.66 31.01 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 117.426 0.613 . . . . 0.0 111.76 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.6 t -91.01 109.79 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.07 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.484 ' HA ' ' HA ' ' A' ' 65' ' ' VAL . 16.5 t -109.63 126.87 66.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 120.6 0.238 . . . . 0.0 110.583 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -93.96 128.79 40.48 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.066 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.3 t -89.01 127.94 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.729 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -107.82 -22.36 12.49 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.629 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.0 p -154.23 157.2 38.4 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -130.91 107.46 9.13 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.733 HD23 ' HB3' ' A' ' 11' ' ' LYS . 48.2 mt -67.36 157.48 33.93 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -178.313 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.412 ' HD2' HD21 ' A' ' 12' ' ' LEU . 29.5 mtpp -123.4 -178.51 4.02 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.804 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.29 -138.26 18.2 Favored Glycine 0 C--N 1.34 0.772 0 CA-C-N 116.059 -0.519 . . . . 0.0 113.282 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 -69.49 -26.36 64.51 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 122.59 0.356 . . . . 0.0 111.591 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -110.68 39.57 2.85 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 121.25 -0.5 . . . . 0.0 112.113 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.1 ptt-85 -69.41 -16.55 63.52 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.9 mt -84.72 9.44 13.96 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.598 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -112.24 120.97 43.58 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.132 0.491 . . . . 0.0 111.063 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 22.4 m0 -108.02 119.89 40.75 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.878 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.56 161.48 42.64 Favored Glycine 0 C--N 1.333 0.414 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.098 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 148.67 -159.34 28.0 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.86 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.9 m -154.84 153.79 31.71 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.909 0.385 . . . . 0.0 111.171 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.484 ' HA ' ' HA ' ' A' ' 47' ' ' VAL . 9.0 p -70.04 162.95 3.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.97 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 . . . . . 0 N--CA 1.477 0.901 0 C-N-CA 124.506 1.123 . . . . 0.0 113.187 -179.588 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.353 0 CA-C-O 121.129 0.49 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -146.46 -43.24 0.19 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.624 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -92.9 -18.26 23.01 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.952 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.8 tp 65.94 143.59 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 O-C-N 124.387 1.054 . . . . 0.0 111.468 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -149.49 -156.61 7.28 Favored Glycine 0 C--N 1.344 0.981 0 C-N-CA 120.174 -1.012 . . . . 0.0 113.797 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -136.35 155.89 49.41 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 122.625 0.37 . . . . 0.0 110.81 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -154.51 148.23 18.74 Favored Pre-proline 0 CA--C 1.541 0.605 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.913 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.423 ' O ' HG12 ' A' ' 84' ' ' ILE . 12.5 Cg_exo -70.64 135.2 27.79 Favored 'Trans proline' 0 C--N 1.365 1.401 0 C-N-CA 122.182 1.921 . . . . 0.0 111.734 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 93.1 p -65.07 -21.21 66.79 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.447 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.2 m -66.16 -22.01 66.35 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.434 HG13 HG13 ' A' ' 85' ' ' VAL . 30.1 pt -95.4 -5.21 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.434 HG13 HG13 ' A' ' 84' ' ' ILE . 24.4 m -122.41 163.55 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 111.539 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -137.63 114.61 10.72 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.218 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -69.71 130.13 41.5 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.062 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -127.11 -34.3 2.34 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.548 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.78 127.66 18.3 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.094 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 55.9 m -89.0 124.83 34.64 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.44 HD12 ' HB2' ' A' ' 21' ' ' PRO . 40.4 mt -87.29 -39.62 15.22 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.485 -178.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -152.81 125.06 3.88 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.58 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -49.37 130.13 24.39 Favored 'Trans proline' 0 C--N 1.37 1.665 0 C-N-CA 123.173 2.582 . . . . 0.0 114.306 -178.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.431 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -109.39 86.33 0.44 Allowed Glycine 0 C--N 1.334 0.447 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -126.24 30.81 5.53 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.6 t -122.74 109.66 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.87 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -75.03 120.38 20.48 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.65 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.7 131.47 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.867 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -78.51 164.02 25.07 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.675 -0.238 . . . . 0.0 110.993 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 66.9 p -97.86 152.14 19.5 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.778 0.323 . . . . 0.0 111.331 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -113.0 -170.65 1.71 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.232 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.87 2.57 41.98 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -106.78 18.04 22.39 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.763 0.316 . . . . 0.0 110.649 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -102.66 -34.64 8.99 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.916 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -144.44 61.25 1.34 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.39 0.614 . . . . 0.0 111.221 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.2 t80 . . . . . 0 CA--C 1.533 0.323 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.533 -179.352 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.676 0 CA-C-O 119.709 -0.495 . . . . 0.0 113.019 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -81.84 118.21 3.06 Favored 'Trans proline' 0 C--N 1.363 1.327 0 C-N-CA 122.792 2.328 . . . . 0.0 111.832 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.552 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 31.0 mtm -127.61 167.89 16.81 Favored Pre-proline 0 CA--C 1.543 0.678 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.288 -178.139 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.552 ' HD2' ' HB3' ' A' ' 4' ' ' MET . 73.5 Cg_endo -73.58 -176.16 2.4 Favored 'Trans proline' 0 C--N 1.376 1.994 0 C-N-CA 122.275 1.983 . . . . 0.0 112.337 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -90.13 131.23 36.09 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.8 mt -90.26 -29.78 17.94 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.515 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.26 -174.6 4.63 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.35 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -127.52 -46.71 1.45 Allowed 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.408 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 9.3 mpt_? -129.19 155.03 46.18 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.803 0.335 . . . . 0.0 110.933 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.5 pttt -138.3 167.36 22.03 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.083 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -101.59 127.94 48.08 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 70.9 m -130.59 171.28 13.22 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.776 0.672 . . . . 0.0 110.707 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.473 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -78.21 -29.98 48.62 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.542 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -153.1 178.48 9.67 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.093 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -62.24 -22.4 65.94 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.279 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -88.68 -22.01 23.63 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.813 -0.176 . . . . 0.0 111.246 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.0 t 54.58 32.71 17.56 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.743 0.782 . . . . 0.0 109.859 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.0 t -100.64 2.8 41.97 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.275 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -106.37 152.22 40.5 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.61 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.472 ' HB2' HD12 ' A' ' 91' ' ' LEU . 40.7 Cg_endo -91.3 122.82 0.76 Allowed 'Trans proline' 0 C--N 1.368 1.562 0 C-N-CA 122.809 2.339 . . . . 0.0 112.067 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.506 HD13 ' HZ2' ' A' ' 52' ' ' LYS . 36.7 mt -71.21 -65.32 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.549 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.1 t -134.55 140.18 45.95 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.051 0.453 . . . . 0.0 112.158 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.3 ttp -89.79 114.94 26.74 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.127 -0.942 . . . . 0.0 108.936 178.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.72 141.5 48.32 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.6 t -97.76 136.14 29.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.129 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.07 134.85 46.06 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.982 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.6 mt -97.62 -21.47 17.03 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.47 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -149.81 -179.45 7.14 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -87.2 150.69 23.75 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.485 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -151.85 137.15 17.55 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.653 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -112.77 139.15 48.63 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.28 107.81 37.8 Favored Pre-proline 0 CA--C 1.537 0.462 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -85.68 -42.04 0.06 OUTLIER 'Trans proline' 0 C--N 1.362 1.24 0 C-N-CA 122.385 2.056 . . . . 0.0 112.946 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -91.3 163.32 14.27 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.103 0.561 . . . . 0.0 111.486 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.2 t -60.68 -46.55 89.94 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.425 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -74.59 1.4 12.19 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -101.45 148.64 24.94 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 117.993 0.36 . . . . 0.0 110.968 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.38 142.73 46.3 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.018 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 66.7 m -88.77 125.12 34.74 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 75.7 mt -128.22 138.71 53.89 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.541 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -104.32 156.81 17.6 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.806 178.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.9 ttp85 -63.32 115.65 4.76 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.549 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.89 3.15 49.16 Favored Glycine 0 C--N 1.34 0.756 0 CA-C-O 119.473 -0.626 . . . . 0.0 114.363 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -78.86 140.46 38.15 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 117.903 0.851 . . . . 0.0 111.689 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.7 t -83.1 100.9 7.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.0 t -105.15 124.99 60.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 111.485 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -91.47 124.76 35.89 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.276 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.8 t -87.47 134.12 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -113.53 -28.08 7.65 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 57.1 p -153.47 158.44 41.36 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.506 ' HZ2' HD13 ' A' ' 22' ' ' ILE . 18.1 mttp -127.91 113.03 15.36 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.063 178.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.6 mt -69.22 151.97 45.65 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -113.79 -177.54 3.16 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.923 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.59 -132.96 11.68 Favored Glycine 0 C--N 1.34 0.772 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.586 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -72.66 -20.82 61.19 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.639 0.256 . . . . 0.0 110.814 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -105.47 46.91 1.11 Allowed Glycine 0 C--N 1.335 0.522 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.971 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -68.53 -26.69 65.56 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 122.499 0.32 . . . . 0.0 110.665 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 mp -89.58 -5.53 57.11 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.787 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -95.01 121.85 37.05 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.246 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 30.4 m0 -109.94 -172.9 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.29 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.466 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -160.57 158.1 29.56 Favored Glycine 0 C--N 1.336 0.528 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.371 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 166.6 -159.33 32.63 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 121.415 -0.421 . . . . 0.0 112.221 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 97.7 p -130.43 144.31 51.32 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.562 0.22 . . . . 0.0 110.692 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.5 p -89.17 133.0 32.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 CA-C-O 121.16 0.505 . . . . 0.0 111.333 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 . . . . . 0 CA--C 1.538 0.489 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.942 -179.644 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.359 0 CA-C-O 121.149 0.5 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -139.25 -22.96 0.91 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.427 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -106.34 3.88 27.99 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.685 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.0 mt 58.75 178.42 0.07 Allowed 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -174.56 130.32 1.76 Allowed Glycine 0 C--N 1.336 0.531 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.579 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.466 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 72.3 m-85 -85.53 148.1 26.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.993 0.425 . . . . 0.0 111.379 -178.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -151.6 155.74 34.28 Favored Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.887 -178.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -74.68 134.86 18.93 Favored 'Trans proline' 0 C--N 1.367 1.535 0 C-N-CA 122.201 1.934 . . . . 0.0 111.671 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 90.5 p -64.93 -17.52 64.43 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.864 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.9 t -66.31 -19.71 65.89 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 25.7 pt -97.25 -1.98 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.7 m -117.88 163.22 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-O 121.121 0.486 . . . . 0.0 112.162 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 64.4 ttt-85 -131.04 108.66 9.94 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.766 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -74.99 125.81 29.7 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.282 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -120.47 -34.08 3.71 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -146.45 138.53 24.92 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.173 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.1 m -94.23 122.15 36.47 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.472 HD12 ' HB2' ' A' ' 21' ' ' PRO . 13.7 mt -84.87 -30.52 24.38 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.341 -178.301 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -161.38 125.98 2.08 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.583 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -51.21 144.17 30.69 Favored 'Trans proline' 0 C--N 1.374 1.889 0 C-N-CA 122.808 2.339 . . . . 0.0 114.023 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -122.42 83.83 0.36 Allowed Glycine 0 C--N 1.337 0.614 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.72 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.22 15.05 14.02 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.783 0.325 . . . . 0.0 110.807 -178.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.8 t -114.8 101.57 12.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.212 -178.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -76.07 125.84 29.88 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.595 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 23.1 t -125.0 132.31 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.977 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.408 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -73.54 169.12 17.9 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.955 179.881 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 72.9 p -98.78 154.82 17.71 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.416 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -109.9 -170.84 1.72 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.802 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.407 ' HB2' ' NZ ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -79.29 -21.41 46.04 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.38 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -81.24 -3.19 51.59 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.088 0.242 . . . . 0.0 111.652 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.69 -14.55 37.07 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.292 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -115.37 -34.97 4.77 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.302 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 20.9 t80 . . . . . 0 CA--C 1.531 0.217 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.549 -178.602 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.64 0 CA-C-O 119.621 -0.544 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.12 135.07 18.38 Favored 'Trans proline' 0 C--N 1.363 1.3 0 C-N-CA 122.548 2.166 . . . . 0.0 111.95 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.5 ppp? -149.54 163.23 25.84 Favored Pre-proline 0 CA--C 1.548 0.887 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.09 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -51.51 159.95 2.87 Favored 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 123.362 2.708 . . . . 0.0 114.191 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -75.83 153.92 36.52 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.616 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.639 HD11 HH21 ' A' ' 37' ' ' ARG . 68.7 mt -115.92 -35.59 4.4 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.647 178.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.79 -173.43 4.1 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.598 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -131.6 -44.28 1.0 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.487 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.8 mtt85 -129.8 158.17 40.18 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.078 0.466 . . . . 0.0 111.423 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.581 ' HB3' HD23 ' A' ' 53' ' ' LEU . 41.9 pttt -132.29 174.96 9.69 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.029 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.7 mt -119.9 120.71 37.21 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.57 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 62.9 m -122.17 -179.83 4.3 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.576 0.547 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.45 ' HB1' ' HG2' ' A' ' 92' ' ' LYS . . . -80.25 -27.83 38.59 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.558 179.164 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -149.27 173.83 13.06 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.466 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -65.91 -13.19 59.25 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -89.83 -21.4 22.6 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.2 m 57.15 31.32 19.8 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 121.637 0.732 . . . . 0.0 109.767 -177.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.9 t -100.44 -10.82 20.74 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.863 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -98.17 149.67 35.97 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.893 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -91.35 120.16 0.61 Allowed 'Trans proline' 0 C--N 1.368 1.555 0 C-N-CA 122.891 2.394 . . . . 0.0 111.625 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.5 mt -64.94 -64.96 0.61 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.159 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.546 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 61.2 p -138.04 141.43 40.36 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.482 ' HB2' HD11 ' A' ' 91' ' ' LEU . 15.2 tmm? -89.76 122.45 32.85 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.184 -0.916 . . . . 0.0 108.835 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.419 ' HB2' ' HG3' ' A' ' 87' ' ' GLU . . . -123.27 155.0 38.06 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.2 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.3 t -103.98 134.43 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.285 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.86 133.87 36.28 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.515 HD21 ' HB2' ' A' ' 86' ' ' ARG . 3.4 mm? -93.41 -21.54 19.46 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -179.082 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -152.93 -178.71 7.08 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.12 155.35 19.11 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.542 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -151.07 140.28 21.25 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.857 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.5 mmt -110.75 137.15 48.78 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.174 0.297 . . . . 0.0 110.455 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.26 111.5 34.22 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.92 -59.09 0.03 OUTLIER 'Trans proline' 0 C--N 1.364 1.385 0 C-N-CA 122.56 2.173 . . . . 0.0 112.123 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -91.43 170.62 9.81 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.022 0.439 . . . . 0.0 112.046 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.6 p -62.08 -25.83 67.93 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.639 HH21 HD11 ' A' ' 7' ' ' LEU . 15.8 mtm-85 -90.76 3.21 54.97 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -177.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -105.5 163.93 12.27 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.717 0.69 . . . . 0.0 112.737 -178.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.3 mt -115.03 151.58 33.97 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.59 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.3 m -103.96 109.58 21.39 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 57.8 mt -111.44 151.81 13.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.12 -177.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -115.98 152.53 33.31 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.885 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -63.06 124.55 21.43 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.648 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.69 -11.08 62.83 Favored Glycine 0 C--N 1.338 0.678 0 C-N-CA 120.942 -0.647 . . . . 0.0 114.013 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -74.22 154.17 39.13 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.428 0.614 . . . . 0.0 111.665 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 t -92.09 115.78 31.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.883 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.408 HG22 HG23 ' A' ' 65' ' ' VAL . 14.9 t -113.4 124.16 69.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-O 120.641 0.258 . . . . 0.0 110.843 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -95.29 126.62 40.72 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.883 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.5 t -87.79 129.95 38.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.86 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.419 ' HB2' ' HA2' ' A' ' 63' ' ' GLY . 19.1 m-85 -111.24 -28.59 8.19 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.31 0.381 . . . . 0.0 111.789 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.4 p -148.66 163.75 36.37 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -133.32 109.72 9.56 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.581 HD23 ' HB3' ' A' ' 11' ' ' LYS . 47.3 mt -67.76 152.67 45.21 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.517 0.199 . . . . 0.0 111.361 -178.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -122.79 178.52 4.99 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.05 -133.54 11.58 Favored Glycine 0 C--N 1.337 0.603 0 C-N-CA 121.182 -0.532 . . . . 0.0 112.741 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -35.56 62.91 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.618 0.247 . . . . 0.0 110.917 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -105.37 48.18 1.0 Allowed Glycine 0 C--N 1.335 0.505 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.936 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.2 ptt-85 -71.5 -8.41 53.76 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.622 ' H ' HD23 ' A' ' 59' ' ' LEU . 1.2 pt? -88.18 0.45 56.04 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.619 0.247 . . . . 0.0 110.795 179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -102.69 122.28 44.13 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.645 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 36.2 m0 -111.07 134.48 52.64 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -91.74 166.53 30.25 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.403 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.419 ' HA2' ' HB2' ' A' ' 50' ' ' PHE . . . 152.31 -167.74 31.36 Favored Glycine 0 C--N 1.333 0.377 0 N-CA-C 111.975 -0.45 . . . . 0.0 111.975 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.7 p -126.43 156.59 40.37 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.594 0.235 . . . . 0.0 111.039 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.408 HG23 HG22 ' A' ' 47' ' ' VAL . 5.1 p -104.43 128.67 57.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.106 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 . . . . . 0 CA--C 1.531 0.229 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.679 179.879 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.369 0 CA-C-O 120.976 0.417 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -96.19 -41.66 8.58 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.179 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.0 ppt_? -121.74 1.85 10.0 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.869 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 40.56 -157.63 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.953 1.301 . . . . 0.0 113.714 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -172.22 -159.33 18.41 Favored Glycine 0 C--N 1.345 1.028 0 C-N-CA 121.058 -0.591 . . . . 0.0 112.561 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -122.44 157.1 32.68 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 122.436 0.294 . . . . 0.0 110.619 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -155.95 151.51 21.9 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.931 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -72.39 132.24 18.88 Favored 'Trans proline' 0 C--N 1.367 1.547 0 C-N-CA 122.255 1.97 . . . . 0.0 111.614 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 92.1 p -63.78 -23.19 67.26 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.404 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.2 p -65.88 -23.16 66.59 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.5 pt -95.35 -1.33 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.8 m -120.64 140.81 43.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 121.043 0.449 . . . . 0.0 111.987 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.515 ' HB2' HD21 ' A' ' 28' ' ' LEU . 79.3 ttt180 -112.22 112.39 23.96 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.011 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.419 ' HG3' ' HB2' ' A' ' 25' ' ' ALA . 37.2 mp0 -88.64 116.73 27.1 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.822 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -115.09 -27.98 7.14 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.562 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.25 140.46 45.24 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.2 m -106.72 124.55 49.78 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.442 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 24' ' ' MET . 9.5 mt -86.48 -32.51 20.75 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.45 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -154.74 132.85 6.72 Favored Pre-proline 0 CA--C 1.542 0.659 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.075 -179.545 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 92' ' ' LYS . 50.6 Cg_exo -61.27 128.88 26.37 Favored 'Trans proline' 0 C--N 1.365 1.419 0 C-N-CA 123.012 2.474 . . . . 0.0 113.707 -179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.444 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -101.7 89.92 0.8 Allowed Glycine 0 C--N 1.335 0.497 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -129.9 28.95 5.03 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 44.5 t -121.27 143.79 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.896 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -111.0 119.02 37.67 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.669 0.271 . . . . 0.0 111.5 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 12.6 t -127.47 135.14 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.11 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -81.07 160.82 24.4 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.569 0.223 . . . . 0.0 111.257 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 81.7 p -94.39 161.99 14.01 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.044 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -98.74 -179.61 4.35 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.726 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.29 -21.09 36.31 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.362 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -80.21 -10.86 59.77 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.988 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -79.93 -14.51 58.55 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.05 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -116.71 -36.06 4.01 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.971 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 28.2 t80 . . . . . 0 CA--C 1.534 0.349 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.274 -178.689 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.494 0 CA-C-O 119.765 -0.464 . . . . 0.0 113.35 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -84.54 136.88 6.58 Favored 'Trans proline' 0 C--N 1.363 1.299 0 C-N-CA 122.875 2.383 . . . . 0.0 112.557 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -151.96 159.63 32.73 Favored Pre-proline 0 CA--C 1.543 0.691 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.655 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -47.42 142.38 12.97 Favored 'Trans proline' 0 C--N 1.377 2.062 0 C-N-CA 123.082 2.521 . . . . 0.0 113.922 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -83.44 166.92 17.95 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.428 -179.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 47.3 mt -93.99 -40.95 9.83 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.39 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.28 -171.53 3.86 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.949 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -119.33 -32.37 4.39 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.597 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.615 ' HG2' ' HG3' ' A' ' 99' ' ' LYS . 98.9 mtt180 -129.21 157.98 40.31 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.972 0.415 . . . . 0.0 111.259 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.668 ' HB3' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -146.45 152.17 38.6 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.593 -179.615 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -91.66 144.86 25.09 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.489 ' HA ' HD11 ' A' ' 22' ' ' ILE . 75.5 m -141.25 166.29 25.17 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.987 0.804 . . . . 0.0 110.228 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.82 -35.21 60.07 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.871 0.367 . . . . 0.0 110.227 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.8 p-10 -131.05 169.44 15.85 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.428 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -69.16 -13.95 62.71 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.938 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -90.58 -15.87 29.79 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.602 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 75.5 m 57.55 28.15 15.16 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.469 0.652 . . . . 0.0 110.349 -178.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.2 t -102.84 6.59 39.29 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.75 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -112.63 150.02 42.06 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.1 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -90.23 116.81 0.62 Allowed 'Trans proline' 0 C--N 1.367 1.537 0 C-N-CA 122.884 2.39 . . . . 0.0 111.996 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.489 HD11 ' HA ' ' A' ' 13' ' ' CYS . 55.8 mt -64.11 -68.41 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.986 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 p -131.94 152.67 50.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.29 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.432 ' HB3' ' NE2' ' A' ' 89' ' ' GLN . 15.1 tmm? -107.82 123.07 48.02 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.717 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.452 ' HB2' ' CD ' ' A' ' 87' ' ' GLU . . . -123.49 148.66 46.01 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -178.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.5 t -99.61 133.49 42.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.837 178.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.27 135.68 46.07 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.743 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.447 HD11 ' HB2' ' A' ' 86' ' ' ARG . 69.6 mt -97.32 -19.11 18.74 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.464 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -149.25 -176.04 5.22 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -90.49 150.83 21.63 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.329 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -151.38 136.9 17.79 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.527 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.404 ' HA ' HG23 ' A' ' 40' ' ' THR . 26.5 mmt -112.32 141.93 45.44 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.282 178.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.01 108.98 29.63 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -78.01 -51.81 0.07 OUTLIER 'Trans proline' 0 C--N 1.368 1.576 0 C-N-CA 122.706 2.271 . . . . 0.0 112.38 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -90.25 164.71 14.28 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.442 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.1 p -64.24 -25.78 68.21 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.4 ptt85 -92.57 5.78 49.65 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -98.6 162.29 13.21 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 117.787 0.267 . . . . 0.0 110.752 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.455 HD22 HG12 ' A' ' 65' ' ' VAL . 34.0 mt -116.69 136.21 53.15 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.404 HG23 ' HA ' ' A' ' 32' ' ' MET . 51.1 m -90.33 111.32 22.49 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.032 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.6 mt -114.48 151.24 16.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.441 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -116.19 154.98 29.1 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.202 178.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -64.18 116.75 6.27 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.548 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.81 -0.06 52.19 Favored Glycine 0 C--N 1.339 0.703 0 C-N-CA 121.089 -0.576 . . . . 0.0 114.173 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -83.12 152.15 25.43 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 117.519 0.66 . . . . 0.0 111.848 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.2 t -88.32 114.71 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.96 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.626 HG22 HG23 ' A' ' 65' ' ' VAL . 6.8 t -116.22 133.47 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 120.677 0.275 . . . . 0.0 111.082 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -102.76 130.25 49.67 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.801 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.8 t -94.5 125.79 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.213 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -107.87 -29.87 8.82 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.6 p -145.43 143.56 30.12 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.594 0.591 . . . . 0.0 112.594 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -119.39 110.08 16.53 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.137 178.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.668 HD23 ' HB3' ' A' ' 11' ' ' LYS . 20.8 mt -71.13 151.96 43.92 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -178.287 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -115.4 -133.48 0.34 Allowed 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.876 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.78 -136.35 38.45 Favored Glycine 0 C--N 1.35 1.322 0 C-N-CA 121.529 -0.367 . . . . 0.0 113.32 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -86.87 -0.7 56.93 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.618 0.246 . . . . 0.0 110.705 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -132.77 60.79 0.66 Allowed Glycine 0 C--N 1.335 0.498 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.035 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.448 ' H ' ' NE ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -71.91 -6.22 40.28 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.122 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.3 pp -96.84 1.36 50.55 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.573 0.225 . . . . 0.0 110.93 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -96.81 122.08 39.38 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.055 0.455 . . . . 0.0 110.794 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 35.4 m0 -110.95 -178.9 3.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.619 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -163.49 163.58 35.72 Favored Glycine 0 C--N 1.333 0.415 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.21 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 161.63 -142.56 8.12 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 121.104 -0.57 . . . . 0.0 112.249 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.2 p -132.95 133.04 42.67 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.567 0.223 . . . . 0.0 110.635 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.626 HG23 HG22 ' A' ' 47' ' ' VAL . 6.5 p -92.33 127.41 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-O 121.209 0.528 . . . . 0.0 111.553 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 . . . . . 0 C--O 1.235 0.301 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.472 179.469 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.373 0 CA-C-O 120.964 0.411 . . . . 0.0 111.413 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -140.25 -0.42 1.63 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.605 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -108.35 -19.3 13.51 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 71.8 mt 56.93 104.22 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.881 0 O-C-N 124.388 1.055 . . . . 0.0 112.472 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.435 ' HA3' ' HG ' ' A' ' 39' ' ' LEU . . . -110.12 -161.4 18.49 Favored Glycine 0 C--N 1.334 0.423 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.104 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.432 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 54.9 m-85 -132.76 156.78 46.44 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 120.87 0.367 . . . . 0.0 111.123 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -156.05 150.4 19.97 Favored Pre-proline 0 CA--C 1.541 0.619 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.724 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -74.38 137.03 22.65 Favored 'Trans proline' 0 C--N 1.367 1.509 0 C-N-CA 122.388 2.059 . . . . 0.0 111.998 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 97.4 p -65.32 -20.69 66.52 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.341 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.5 t -65.78 -22.85 66.61 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.0 pt -96.67 -2.76 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.1 m -115.66 152.02 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.988 0.423 . . . . 0.0 111.888 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.447 ' HB2' HD11 ' A' ' 28' ' ' LEU . 60.1 ttt180 -124.22 110.72 15.01 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.511 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.452 ' CD ' ' HB2' ' A' ' 25' ' ' ALA . 57.9 mm-40 -75.18 128.64 35.94 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.9 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.59 -38.11 5.28 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.853 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.432 ' NE2' ' HB3' ' A' ' 24' ' ' MET . 0.4 OUTLIER -149.83 170.01 19.76 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -179.582 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.1 m -123.63 131.59 53.65 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.251 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.7 mt -88.4 -44.14 10.97 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.946 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.419 ' HE2' ' HB3' ' A' ' 92' ' ' LYS . 17.3 mtpt -144.38 135.74 12.65 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.817 178.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -61.5 128.61 25.29 Favored 'Trans proline' 0 C--N 1.366 1.492 0 C-N-CA 122.991 2.461 . . . . 0.0 113.334 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -96.8 88.44 0.99 Allowed Glycine 0 C--N 1.334 0.468 0 N-CA-C 111.434 -0.667 . . . . 0.0 111.434 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -128.66 19.0 6.21 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.6 t -107.57 108.81 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -80.43 111.43 16.83 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.153 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 32.1 t -122.95 133.1 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.019 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.615 ' HG3' ' HG2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -79.34 157.73 27.61 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.173 179.789 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 71.0 p -91.98 155.27 18.25 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -106.42 -175.45 2.8 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.736 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -68.87 -35.21 76.63 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.103 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -87.88 45.72 1.31 Allowed 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.032 0.444 . . . . 0.0 112.046 -178.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -124.85 -29.68 3.36 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.508 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -122.11 38.22 4.18 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.264 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.3 t80 . . . . . 0 CA--C 1.533 0.323 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.856 -179.279 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.553 0 CA-C-O 119.612 -0.549 . . . . 0.0 112.709 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -82.4 130.04 6.05 Favored 'Trans proline' 0 C--N 1.362 1.249 0 C-N-CA 122.577 2.184 . . . . 0.0 112.193 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.1 ptm -145.42 157.45 52.51 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.75 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.66 168.93 3.64 Favored 'Trans proline' 0 C--N 1.374 1.891 0 C-N-CA 122.792 2.328 . . . . 0.0 113.651 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -72.46 155.17 40.39 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.829 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.1 tp -109.04 -20.51 13.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.162 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -154.06 170.55 20.86 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.53 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -99.26 -61.22 1.4 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.384 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' A' ' 99' ' ' LYS . 99.8 mtt180 -125.37 164.25 20.81 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.24 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.7 pttt -143.85 166.38 25.09 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.674 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' A' ' 51' ' ' SER . 3.7 mm? -98.07 129.07 44.92 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.767 178.548 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 78.6 m -133.01 171.9 13.35 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.841 0.713 . . . . 0.0 110.64 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.521 ' HB1' ' HG2' ' A' ' 92' ' ' LYS . . . -81.23 -33.59 32.76 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.438 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -139.8 173.97 10.99 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.825 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -66.13 -17.14 64.52 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.666 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -89.51 -19.28 25.24 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 91.0 m 58.34 26.71 14.36 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.428 0.632 . . . . 0.0 109.797 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.2 t -95.91 -12.92 24.38 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.626 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -95.33 150.55 37.74 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.773 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -90.88 124.35 0.95 Allowed 'Trans proline' 0 C--N 1.367 1.52 0 C-N-CA 122.897 2.398 . . . . 0.0 111.954 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.2 mt -66.97 -62.56 1.19 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.003 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.1 t -141.92 144.41 33.76 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.997 0.427 . . . . 0.0 111.814 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.465 ' HB2' HD11 ' A' ' 91' ' ' LEU . 15.5 tmm? -89.18 114.93 26.28 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.21 147.36 39.07 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -178.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.9 t -97.13 139.35 19.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.136 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.44 138.24 34.45 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.235 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 86' ' ' ARG . 6.1 mp -99.7 -39.08 8.43 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -179.167 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.447 ' HA ' ' HB3' ' A' ' 43' ' ' ARG . 1.5 pt20 -138.55 168.14 20.42 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -71.8 153.56 41.86 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.349 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -151.58 125.73 9.27 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.169 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -101.6 131.31 47.87 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.164 0.29 . . . . 0.0 110.237 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . . . -105.63 124.31 36.62 Favored Pre-proline 0 CA--C 1.533 0.327 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 3.8 Cg_exo -78.14 -61.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.366 1.458 0 C-N-CA 122.694 2.263 . . . . 0.0 112.09 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -91.31 165.62 13.34 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.472 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.0 t -64.22 -22.82 67.08 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.318 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -61.42 -24.39 66.49 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.988 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -109.59 166.88 10.56 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.609 0.242 . . . . 0.0 111.222 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.434 ' HG ' ' HA3' ' A' ' 78' ' ' GLY . 28.1 mt -116.62 136.43 52.98 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.151 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 53.2 m -88.78 108.23 19.39 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.4 mt -110.24 139.05 35.35 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -176.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 54.9 m170 -103.99 137.17 42.35 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 177.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.447 ' HB3' ' HA ' ' A' ' 29' ' ' GLN . 9.4 ptm180 -60.56 132.37 53.68 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.143 0.497 . . . . 0.0 112.161 -178.316 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.55 -14.33 59.28 Favored Glycine 0 C--N 1.336 0.574 0 CA-C-N 115.418 -0.81 . . . . 0.0 113.158 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -78.28 166.16 23.03 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.019 0.438 . . . . 0.0 111.854 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 t -96.99 121.16 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.963 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.1 t -119.81 121.79 67.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 O-C-N 123.125 0.266 . . . . 0.0 110.354 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -92.25 125.95 37.13 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.809 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.3 t -87.91 129.15 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.067 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -112.27 -33.81 6.1 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.457 ' HA ' ' O ' ' A' ' 12' ' ' LEU . 71.0 p -147.05 150.01 34.22 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -178.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -119.22 115.71 24.77 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.364 -0.835 . . . . 0.0 108.763 177.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.4 mt -66.83 148.46 51.9 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -116.51 -27.47 6.73 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.522 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -67.9 -111.12 0.02 OUTLIER Glycine 0 C--N 1.339 0.734 0 N-CA-C 113.954 0.341 . . . . 0.0 113.954 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -86.94 12.2 11.74 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.777 0.322 . . . . 0.0 110.928 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -124.4 58.96 0.64 Allowed Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.058 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -55.5 -53.19 59.48 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.057 0.456 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.3 mt -97.99 18.14 16.67 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.076 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -111.26 124.59 52.53 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.37 0.605 . . . . 0.0 111.353 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 45.2 m0 -109.46 -171.37 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.091 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -163.15 163.3 35.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.395 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 164.8 -144.09 9.06 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 112.121 -0.392 . . . . 0.0 112.121 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.1 m -140.78 142.01 34.74 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.692 0.282 . . . . 0.0 110.407 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 43.5 t -90.5 131.74 36.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.321 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 . . . . . 0 CA--C 1.533 0.315 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.437 179.074 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.328 0 CA-C-O 120.8 0.333 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.81 -46.44 36.75 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.922 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.94 154.58 21.96 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.832 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.76 133.39 34.72 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.231 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.434 ' HA3' ' HG ' ' A' ' 39' ' ' LEU . . . -128.19 179.62 16.43 Favored Glycine 0 C--N 1.337 0.62 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.027 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -126.35 157.42 38.51 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.891 0.346 . . . . 0.0 111.092 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -154.6 153.96 28.59 Favored Pre-proline 0 CA--C 1.542 0.657 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.236 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo -72.36 137.2 27.84 Favored 'Trans proline' 0 C--N 1.369 1.626 0 C-N-CA 122.397 2.065 . . . . 0.0 112.092 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 93.7 p -64.69 -23.4 67.24 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.674 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.4 m -65.62 -18.63 65.46 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.9 pt -101.97 0.98 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.9 m -122.84 155.5 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-O 120.813 0.339 . . . . 0.0 111.565 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.487 ' HB2' HD11 ' A' ' 28' ' ' LEU . 53.0 ttt85 -133.64 108.42 8.55 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.474 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -67.97 124.12 22.51 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.394 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -111.03 -47.24 3.23 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.584 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.78 129.11 25.73 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.2 m -83.79 122.01 28.09 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.698 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.465 HD11 ' HB2' ' A' ' 24' ' ' MET . 10.5 mt -86.05 -29.75 23.17 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.169 -178.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.521 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -155.54 132.78 6.38 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.031 -179.688 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -60.46 125.97 18.77 Favored 'Trans proline' 0 C--N 1.366 1.472 0 C-N-CA 123.075 2.517 . . . . 0.0 113.684 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.435 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -97.58 93.3 1.4 Allowed Glycine 0 C--N 1.335 0.481 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.246 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -137.61 29.09 2.66 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -178.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.7 t -124.03 115.06 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.149 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -85.36 116.72 23.85 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.457 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 16.7 t -128.62 137.98 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.107 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 2.9 pptp? -78.38 168.17 20.22 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.88 -0.145 . . . . 0.0 111.205 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 76.5 p -91.55 146.52 23.72 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.838 0.352 . . . . 0.0 111.304 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -101.59 -174.92 2.71 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.478 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.57 -16.1 52.7 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -81.0 -8.88 59.88 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.728 0.299 . . . . 0.0 110.813 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -80.55 -22.19 41.05 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.598 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -126.85 35.05 4.67 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.78 0.324 . . . . 0.0 110.879 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.9 t80 . . . . . 0 CA--C 1.533 0.326 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.406 -179.359 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.649 0 CA-C-O 119.695 -0.503 . . . . 0.0 112.698 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -77.25 142.55 21.53 Favored 'Trans proline' 0 C--N 1.362 1.256 0 C-N-CA 122.567 2.178 . . . . 0.0 112.514 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 13.0 ptm -154.67 163.76 23.21 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.439 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -45.36 143.73 5.24 Favored 'Trans proline' 0 C--N 1.381 2.246 0 C-N-CA 122.813 2.342 . . . . 0.0 113.568 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 7' ' ' LEU . 28.9 mtpp -78.39 -12.43 60.0 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.594 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.47 HD23 ' CZ ' ' A' ' 37' ' ' ARG . 4.0 mm? 76.42 -48.32 0.56 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.225 1.01 . . . . 0.0 110.943 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.85 -160.16 1.09 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.041 0.536 . . . . 0.0 110.074 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -125.91 -38.86 2.15 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 120.448 0.166 . . . . 0.0 111.134 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.428 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 8.0 mpt_? -122.52 162.17 22.26 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.761 0.315 . . . . 0.0 111.264 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.498 ' HB3' HD23 ' A' ' 53' ' ' LEU . 18.4 pttp -132.15 168.49 17.92 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.329 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 51' ' ' SER . 73.6 mt -115.94 131.73 56.85 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.333 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 71.7 m -132.98 168.66 18.07 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 123.504 0.502 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.45 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -76.15 -37.1 58.38 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.088 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.423 ' HA ' HG21 ' A' ' 96' ' ' VAL . 1.5 p30 -139.6 174.01 10.95 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.818 178.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -67.56 -9.86 46.54 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -179.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -91.45 -21.33 20.99 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 111.49 0.181 . . . . 0.0 111.49 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.6 m 57.96 31.73 21.0 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.691 0.758 . . . . 0.0 109.793 -177.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.9 t -100.03 -13.64 18.97 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.845 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -98.48 153.4 38.0 Favored Pre-proline 0 CA--C 1.537 0.477 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.933 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -92.64 130.67 0.95 Allowed 'Trans proline' 0 C--N 1.37 1.661 0 C-N-CA 122.946 2.43 . . . . 0.0 112.027 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.2 mt -73.75 -62.48 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.109 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.4 p -139.64 148.81 42.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.933 0.397 . . . . 0.0 111.921 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.435 ' HB2' HD11 ' A' ' 91' ' ' LEU . 15.3 tmm? -98.52 119.29 36.97 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.959 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.49 149.99 41.54 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.5 t -100.07 134.75 38.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.622 178.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.22 132.64 44.36 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.794 0.33 . . . . 0.0 111.346 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.457 HD11 ' HB2' ' A' ' 86' ' ' ARG . 83.8 mt -94.01 -24.62 17.57 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.737 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -149.25 -174.93 4.79 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -91.17 151.21 21.05 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.436 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -151.41 136.69 17.6 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.343 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.4 ' HA ' HG23 ' A' ' 40' ' ' THR . 26.4 mmt -116.1 137.33 52.22 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.235 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.96 110.41 59.25 Favored Pre-proline 0 CA--C 1.535 0.39 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -178.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -74.47 -55.02 0.09 OUTLIER 'Trans proline' 0 C--N 1.363 1.326 0 C-N-CA 122.408 2.072 . . . . 0.0 111.515 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -91.44 161.77 14.85 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.775 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.4 p -61.39 -26.21 67.7 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.804 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.47 ' CZ ' HD23 ' A' ' 7' ' ' LEU . 1.9 tmt_? -68.68 -29.5 67.96 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.528 -178.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -89.94 168.81 11.74 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.452 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.557 HD21 HG23 ' A' ' 65' ' ' VAL . 57.7 tp -125.17 136.88 54.03 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.419 -179.361 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.4 HG23 ' HA ' ' A' ' 32' ' ' MET . 28.6 m -89.37 121.89 32.07 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 70.5 mt -127.73 147.19 32.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.164 -178.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -112.88 152.51 29.19 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.199 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.9 ttp85 -62.93 120.93 12.29 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.639 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.92 -7.34 57.25 Favored Glycine 0 C--N 1.338 0.674 0 C-N-CA 120.99 -0.624 . . . . 0.0 114.102 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -79.94 152.41 29.57 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 117.49 0.645 . . . . 0.0 111.694 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.9 t -87.48 122.79 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.761 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.403 HG22 HG22 ' A' ' 65' ' ' VAL . 21.5 t -126.45 124.22 64.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 120.684 0.278 . . . . 0.0 111.218 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -95.11 128.55 42.03 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.184 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.8 t -92.0 127.58 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.254 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -108.13 -33.23 7.22 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.832 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 12' ' ' LEU . 61.4 p -136.83 142.33 42.87 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -179.224 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.3 mttm -125.77 111.01 14.39 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.121 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.498 HD23 ' HB3' ' A' ' 11' ' ' LYS . 83.8 mt -68.72 156.66 37.84 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -178.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -140.42 153.96 46.5 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.74 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.93 -104.79 1.7 Allowed Glycine 0 C--N 1.335 0.502 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.869 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -85.77 -24.66 26.77 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.465 0.174 . . . . 0.0 111.053 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -132.07 58.08 0.71 Allowed Glycine 0 C--N 1.336 0.538 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.666 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.464 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -72.22 -12.79 61.32 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 179.77 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.5 mt -90.01 5.21 47.58 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -110.59 119.06 37.94 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.143 0.497 . . . . 0.0 111.261 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -111.85 -175.67 2.75 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.405 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.4 158.07 30.58 Favored Glycine 0 C--N 1.338 0.665 0 C-N-CA 120.69 -0.767 . . . . 0.0 113.048 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 172.89 -148.72 10.69 Favored Glycine 0 C--N 1.337 0.607 0 C-N-CA 121.481 -0.39 . . . . 0.0 112.681 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.473 ' HB2' ' HA ' ' A' ' 74' ' ' ALA . 88.6 p -128.35 164.17 23.23 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 122.36 0.264 . . . . 0.0 110.561 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.557 HG23 HD21 ' A' ' 39' ' ' LEU . 60.3 t -112.39 121.16 64.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-O 120.779 0.324 . . . . 0.0 111.611 -179.438 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 . . . . . 0 C--O 1.234 0.28 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.025 178.706 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.473 ' HA ' ' HB2' ' A' ' 64' ' ' SER . . . . . . . . 0 C--O 1.235 0.317 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.14 -35.97 78.94 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.786 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -97.92 153.98 17.97 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.243 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.3 mt -117.96 123.36 45.58 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.025 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.524 ' HA3' ' HB2' ' A' ' 39' ' ' LEU . . . -114.96 175.01 15.69 Favored Glycine 0 C--N 1.334 0.421 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.758 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -122.72 144.71 48.98 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.09 0.472 . . . . 0.0 111.314 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -147.48 156.05 45.65 Favored Pre-proline 0 CA--C 1.541 0.617 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.221 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.415 ' O ' HG12 ' A' ' 84' ' ' ILE . 11.2 Cg_exo -71.05 139.47 35.84 Favored 'Trans proline' 0 C--N 1.367 1.539 0 C-N-CA 122.18 1.92 . . . . 0.0 111.424 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.8 p -63.14 -21.82 66.45 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.788 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.4 p -65.66 -21.43 66.55 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 81' ' ' PRO . 27.7 pt -91.56 -1.68 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.0 m -125.14 154.0 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.457 ' HB2' HD11 ' A' ' 28' ' ' LEU . 67.3 ttt-85 -125.27 116.51 22.07 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.718 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -78.88 122.15 25.75 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.399 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -105.7 -36.97 6.89 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.286 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -147.7 141.66 25.89 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.207 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.8 m -98.34 123.83 42.66 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 177.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' A' ' 24' ' ' MET . 8.2 mt -84.86 -39.16 18.6 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -177.367 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -152.91 135.24 9.06 Favored Pre-proline 0 CA--C 1.544 0.722 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -53.73 134.55 59.09 Favored 'Trans proline' 0 C--N 1.372 1.763 0 C-N-CA 123.587 2.858 . . . . 0.0 114.364 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.45 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -110.73 87.14 0.46 Allowed Glycine 0 C--N 1.335 0.488 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 178.567 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.9 ptpp? -130.24 34.82 4.16 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.423 HG21 ' HA ' ' A' ' 15' ' ' ASP . 60.8 t -122.42 107.54 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 120.894 0.378 . . . . 0.0 110.005 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -84.32 120.75 26.62 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.194 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.54 129.79 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.248 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.428 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 9.8 mtmp? -79.09 152.13 31.01 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.325 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.3 p -95.51 161.33 14.11 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.574 0.226 . . . . 0.0 110.986 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -119.34 -173.65 2.56 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.126 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -70.29 -35.31 73.62 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.975 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -94.38 56.64 2.17 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.386 0.612 . . . . 0.0 111.312 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.76 -51.13 1.59 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.84 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -118.84 63.44 0.78 Allowed 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.076 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 11.0 t80 . . . . . 0 CA--C 1.534 0.359 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.233 -178.962 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.6 0 CA-C-O 119.619 -0.545 . . . . 0.0 112.874 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -81.18 129.73 6.94 Favored 'Trans proline' 0 C--N 1.361 1.227 0 C-N-CA 122.624 2.216 . . . . 0.0 112.33 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -144.32 158.62 54.27 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.746 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -50.86 144.73 26.17 Favored 'Trans proline' 0 C--N 1.377 2.033 0 C-N-CA 123.283 2.656 . . . . 0.0 113.83 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -89.59 172.87 8.65 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.222 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.456 HD21 ' CZ ' ' A' ' 37' ' ' ARG . 1.4 mm? -93.19 -43.9 8.61 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.248 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.61 -159.46 1.02 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.204 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -123.61 -34.56 3.04 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.767 -0.197 . . . . 0.0 111.189 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.416 ' HE ' ' NZ ' ' A' ' 99' ' ' LYS . 64.8 mtt85 -126.06 159.86 31.63 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.086 0.47 . . . . 0.0 111.871 -179.476 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.703 ' HB3' HD23 ' A' ' 53' ' ' LEU . 43.3 pttt -136.79 171.45 14.48 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.643 -179.123 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' A' ' 51' ' ' SER . 4.1 mm? -110.18 127.62 55.03 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.082 178.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.403 ' HA ' HD11 ' A' ' 22' ' ' ILE . 75.2 m -134.04 166.83 21.82 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.606 0.566 . . . . 0.0 110.187 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.432 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -76.56 -39.0 54.06 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.014 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -129.5 172.11 11.89 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.381 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -68.26 -18.56 64.57 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.67 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -88.54 -20.89 24.47 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.268 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.4 t 58.05 29.16 17.36 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 124.146 0.903 . . . . 0.0 109.49 -178.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 t -92.75 -5.14 51.87 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.185 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -101.76 148.03 34.7 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.48 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -89.7 120.38 0.94 Allowed 'Trans proline' 0 C--N 1.367 1.529 0 C-N-CA 122.693 2.262 . . . . 0.0 111.454 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.403 HD11 ' HA ' ' A' ' 13' ' ' CYS . 60.4 mt -64.6 -65.71 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.435 -179.305 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.8 m -141.24 146.57 37.02 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.119 0.485 . . . . 0.0 112.143 -178.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.421 ' HB2' HD11 ' A' ' 91' ' ' LEU . 16.0 tmm? -93.47 123.55 36.85 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.462 179.095 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.19 148.11 44.07 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.913 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.9 t -98.02 137.64 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.457 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.74 133.16 35.62 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.488 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 mp -100.25 -16.79 17.61 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.413 ' HA ' ' HE ' ' A' ' 43' ' ' ARG . 1.8 pt20 -151.9 173.59 14.62 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -80.64 148.85 30.07 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.157 -0.928 . . . . 0.0 111.524 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -152.02 138.76 18.84 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.611 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.401 ' HA ' HG23 ' A' ' 40' ' ' THR . 97.0 mmm -115.21 142.19 47.0 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.348 0.405 . . . . 0.0 110.077 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.2 108.66 25.68 Favored Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -81.01 -49.37 0.06 OUTLIER 'Trans proline' 0 C--N 1.365 1.435 0 C-N-CA 122.678 2.252 . . . . 0.0 112.479 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -90.39 164.17 14.41 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.4 t -61.45 -35.68 78.27 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.54 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.456 ' CZ ' HD21 ' A' ' 7' ' ' LEU . 42.9 ptt85 -88.09 12.36 13.77 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -178.65 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -103.68 161.07 14.22 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.609 0.243 . . . . 0.0 111.118 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.417 ' HG ' ' HA3' ' A' ' 78' ' ' GLY . 36.5 mt -118.95 143.35 47.08 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.401 HG23 ' HA ' ' A' ' 32' ' ' MET . 48.3 m -95.71 116.87 29.5 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.215 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.0 mt -122.31 132.53 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.084 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -94.01 157.76 15.95 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.794 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.413 ' HE ' ' HA ' ' A' ' 29' ' ' GLN . 32.0 ttm180 -63.96 115.12 4.58 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.573 -178.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.61 7.49 53.62 Favored Glycine 0 C--N 1.339 0.7 0 C-N-CA 121.005 -0.617 . . . . 0.0 114.257 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -83.44 150.86 25.78 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 117.877 0.838 . . . . 0.0 112.046 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 56.2 t -86.14 120.17 35.55 Favored 'Isoleucine or valine' 0 C--O 1.23 0.042 0 CA-C-N 114.993 -1.003 . . . . 0.0 108.956 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.0 t -123.72 125.87 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.697 0.284 . . . . 0.0 111.21 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -91.92 123.79 35.55 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.672 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.2 t -90.36 124.45 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.326 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -107.32 -35.9 6.67 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.076 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 12' ' ' LEU . 68.8 p -140.48 144.38 36.0 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -178.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -124.46 110.64 14.76 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.205 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.703 HD23 ' HB3' ' A' ' 11' ' ' LYS . 41.5 mt -71.69 154.35 41.42 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.546 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -112.18 -134.49 0.35 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.692 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 60.54 -143.5 47.93 Favored Glycine 0 C--N 1.351 1.397 0 N-CA-C 114.117 0.407 . . . . 0.0 114.117 179.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -77.81 -22.75 49.57 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.324 -0.438 . . . . 0.0 111.259 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -113.34 52.44 0.64 Allowed Glycine 0 C--N 1.335 0.497 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.927 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.6 ptt-85 -72.44 -6.92 46.97 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 75.8 mt -87.22 -2.2 58.45 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.308 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -98.75 119.44 37.5 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 121.417 0.627 . . . . 0.0 111.548 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 33.3 m0 -106.26 -175.31 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.035 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.425 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -166.54 164.93 38.04 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.804 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 157.36 -145.25 11.65 Favored Glycine 0 C--N 1.335 0.525 0 C-N-CA 121.511 -0.376 . . . . 0.0 112.215 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 97.7 p -126.84 162.68 25.33 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.6 p -117.33 130.83 71.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-O 121.394 0.616 . . . . 0.0 112.265 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 . . . . . 0 C--O 1.233 0.199 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.177 179.367 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.245 0 CA-C-O 120.458 0.17 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.44 -35.32 75.56 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.515 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.1 148.35 26.92 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.088 179.017 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.5 mt -110.32 133.05 53.64 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.57 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.417 ' HA3' ' HG ' ' A' ' 39' ' ' LEU . . . -122.45 -167.75 13.06 Favored Glycine 0 C--N 1.335 0.488 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.805 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.425 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 40.7 m-85 -130.81 156.78 44.41 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.836 0.351 . . . . 0.0 111.05 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -153.74 150.19 22.55 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.753 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.415 ' O ' HG12 ' A' ' 84' ' ' ILE . 7.5 Cg_exo -73.59 135.62 22.25 Favored 'Trans proline' 0 C--N 1.365 1.443 0 C-N-CA 122.285 1.99 . . . . 0.0 111.772 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.9 p -64.82 -20.04 66.18 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.719 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.3 p -66.43 -19.58 65.83 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 81' ' ' PRO . 28.3 pt -96.78 -3.59 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -179.568 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.405 HG13 HG13 ' A' ' 84' ' ' ILE . 26.2 m -120.06 162.5 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 121.172 0.51 . . . . 0.0 112.042 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -134.88 115.58 13.78 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.633 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -79.23 144.89 33.95 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.271 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -146.84 -30.86 0.35 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.565 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -135.77 141.05 44.75 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 49.6 m -107.17 124.12 49.26 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.799 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.421 HD11 ' HB2' ' A' ' 24' ' ' MET . 22.0 mt -87.83 -22.59 24.39 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.846 -178.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -167.06 129.23 1.33 Allowed Pre-proline 0 CA--C 1.542 0.645 0 O-C-N 123.526 0.517 . . . . 0.0 110.152 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -54.28 123.76 14.37 Favored 'Trans proline' 0 C--N 1.371 1.751 0 C-N-CA 122.452 2.101 . . . . 0.0 113.401 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -104.98 93.19 0.9 Allowed Glycine 0 C--N 1.335 0.519 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 178.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.55 33.08 2.04 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.407 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.6 t -121.51 112.09 33.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.088 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -78.67 118.66 20.97 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.264 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 16.2 t -125.27 132.13 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.944 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.416 ' NZ ' ' HE ' ' A' ' 10' ' ' ARG . 55.8 mttm -74.47 160.71 30.6 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.641 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.8 p -100.88 167.99 9.93 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.641 0.258 . . . . 0.0 110.612 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -119.33 -179.57 3.89 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.494 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -77.51 -27.17 51.7 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.344 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -74.11 -17.15 60.98 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.239 0.337 . . . . 0.0 111.151 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -78.08 -21.19 50.92 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.404 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -129.59 47.22 2.52 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.453 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.6 t80 . . . . . 0 N--CA 1.469 0.516 0 CA-C-O 120.945 0.402 . . . . 0.0 111.172 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.376 0 CA-C-O 119.476 -0.625 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.541 ' HA ' HH22 ' A' ' 37' ' ' ARG . 21.3 Cg_endo -90.23 130.44 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 122.888 2.392 . . . . 0.0 113.222 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 13.3 ptt? -138.22 171.66 7.96 Favored Pre-proline 0 CA--C 1.549 0.933 0 CA-C-O 118.379 -0.819 . . . . 0.0 109.166 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -46.23 139.12 12.53 Favored 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 122.474 2.116 . . . . 0.0 113.57 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -63.48 -24.99 68.06 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.356 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.4 mt 77.64 -46.04 0.46 Allowed 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.323 1.049 . . . . 0.0 111.568 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -143.56 169.87 16.9 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 122.488 0.315 . . . . 0.0 110.744 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -109.52 -42.51 4.3 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.374 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.471 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 1.7 mpp_? -125.33 155.53 40.12 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.093 0.473 . . . . 0.0 111.438 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -130.45 162.89 28.16 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.427 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.406 HD21 ' NZ ' ' A' ' 54' ' ' LYS . 2.7 mm? -114.2 119.51 37.3 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.254 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.416 ' HA ' HD11 ' A' ' 22' ' ' ILE . 61.4 m -120.18 175.85 5.74 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.331 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.438 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -87.66 -21.45 25.26 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.302 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -143.38 170.51 15.65 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.446 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -67.37 -23.02 65.55 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -88.77 -17.74 29.19 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.46 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.2 t 58.45 26.22 13.93 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 124.047 0.842 . . . . 0.0 109.767 -178.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.6 t -93.65 -4.07 51.32 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 114.496 -1.229 . . . . 0.0 110.726 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -98.13 147.52 33.2 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.469 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.495 ' HB2' HD12 ' A' ' 91' ' ' LEU . 44.2 Cg_endo -93.15 121.04 0.42 Allowed 'Trans proline' 0 C--N 1.365 1.412 0 C-N-CA 122.92 2.413 . . . . 0.0 112.098 179.322 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.416 HD11 ' HA ' ' A' ' 13' ' ' CYS . 49.9 mt -69.68 -66.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.511 -179.194 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.7 p -132.49 140.23 48.28 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.197 0.522 . . . . 0.0 112.369 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.5 ttp -91.96 114.0 26.43 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.656 178.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.96 141.85 49.29 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.4 t -93.97 133.68 34.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.315 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.01 128.96 38.13 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.96 0.409 . . . . 0.0 111.559 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.452 HD11 ' HB2' ' A' ' 86' ' ' ARG . 86.6 mt -90.97 -22.33 20.87 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.41 -0.813 . . . . 0.0 112.449 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -150.2 -174.82 4.84 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -91.6 154.26 19.17 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.082 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -151.19 134.0 15.74 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.634 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 93.6 mtp -109.65 130.04 55.54 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.576 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.84 119.14 67.27 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.88 -64.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.365 1.442 0 C-N-CA 122.65 2.233 . . . . 0.0 111.775 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -91.38 167.75 12.06 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.809 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.6 p -65.84 -15.15 62.65 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.541 HH22 ' HA ' ' A' ' 3' ' ' PRO . 65.5 mtt85 -75.75 -27.77 58.23 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.315 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -89.96 162.3 15.47 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.648 0.261 . . . . 0.0 110.969 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.648 HD21 HG23 ' A' ' 65' ' ' VAL . 66.2 tp -119.67 136.79 54.26 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.659 -178.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.4 m -88.77 123.27 33.02 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.7 mt -127.87 144.24 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.641 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -108.97 151.54 26.18 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.377 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -63.76 121.63 14.46 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.496 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.83 -11.44 52.94 Favored Glycine 0 C--N 1.338 0.664 0 C-N-CA 121.036 -0.602 . . . . 0.0 113.769 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -78.2 149.38 33.71 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 117.196 0.498 . . . . 0.0 111.806 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.3 t -86.5 123.41 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.464 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.495 HG22 HG22 ' A' ' 65' ' ' VAL . 8.8 t -121.04 121.8 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 111.33 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -91.2 124.19 35.22 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.971 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.7 t -88.35 131.49 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -112.04 -36.61 5.32 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.9 p -140.56 146.85 38.59 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -121.9 116.18 23.92 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.3 mt -72.6 142.96 48.38 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.406 ' NZ ' HD21 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -130.37 158.23 40.42 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.005 179.066 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.87 -102.13 1.35 Allowed Glycine 0 C--N 1.335 0.512 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.172 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -89.91 -17.04 28.73 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.677 0.275 . . . . 0.0 110.59 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.66 60.34 0.68 Allowed Glycine 0 C--N 1.337 0.619 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.993 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.2 tpt85 -68.78 -22.63 64.27 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 122.634 0.373 . . . . 0.0 111.349 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 73.4 mt -90.94 -1.06 57.87 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.413 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -101.13 125.88 47.79 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.103 0.477 . . . . 0.0 111.455 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -112.06 -173.41 2.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.402 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -164.99 154.05 24.61 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.767 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 170.47 -150.57 14.56 Favored Glycine 0 C--N 1.337 0.589 0 C-N-CA 121.315 -0.469 . . . . 0.0 112.437 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.5 t -142.69 146.79 34.75 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.577 0.227 . . . . 0.0 110.75 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.648 HG23 HD21 ' A' ' 39' ' ' LEU . 98.4 t -88.86 133.02 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.206 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 . . . . . 0 CA--C 1.538 0.491 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.018 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.348 0 CA-C-O 121.059 0.457 . . . . 0.0 111.624 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.41 -13.9 31.54 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.617 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.58 168.35 19.94 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.565 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.3 mt -115.47 129.21 56.48 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.217 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -113.86 -175.19 18.97 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.002 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.403 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 84.2 m-85 -129.94 144.86 51.54 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.773 0.32 . . . . 0.0 110.671 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -148.09 151.25 37.29 Favored Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.016 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.413 ' O ' HG12 ' A' ' 84' ' ' ILE . 11.2 Cg_exo -71.51 137.91 31.42 Favored 'Trans proline' 0 C--N 1.366 1.48 0 C-N-CA 122.194 1.929 . . . . 0.0 111.443 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 93.2 p -64.8 -19.19 65.7 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.721 0.296 . . . . 0.0 111.642 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.0 p -66.61 -19.62 65.81 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 81' ' ' PRO . 29.3 pt -95.82 -1.38 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -179.533 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.4 m -119.63 159.05 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.452 ' HB2' HD11 ' A' ' 28' ' ' LEU . 53.5 ttt85 -125.54 110.1 13.46 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.708 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -79.19 130.9 35.95 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.3 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -130.08 -31.81 1.87 Allowed 'General case' 0 C--O 1.234 0.25 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -141.79 139.55 32.8 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.925 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.2 m -100.05 125.04 46.07 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.495 HD12 ' HB2' ' A' ' 21' ' ' PRO . 23.0 mt -86.94 -24.83 24.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.599 -178.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.412 ' HB2' ' NZ ' ' A' ' 92' ' ' LYS . 1.1 ttmp? -170.97 131.01 0.81 Allowed Pre-proline 0 N--CA 1.471 0.579 0 O-C-N 123.614 0.571 . . . . 0.0 110.09 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -54.73 133.85 59.52 Favored 'Trans proline' 0 C--N 1.368 1.598 0 C-N-CA 123.088 2.525 . . . . 0.0 114.154 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.438 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -104.07 86.8 0.53 Allowed Glycine 0 C--N 1.337 0.599 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 178.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -123.87 27.9 7.07 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 37.2 t -117.31 139.32 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -112.29 120.76 42.83 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.848 0.356 . . . . 0.0 111.129 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.72 129.82 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.159 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.471 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 7.2 mtpm? -79.56 158.74 27.08 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.394 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 58.8 p -110.9 159.38 17.75 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.717 0.294 . . . . 0.0 111.159 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -122.49 -175.45 3.14 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.754 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -15.41 61.45 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -178.448 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -83.09 -2.64 55.92 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.562 0.22 . . . . 0.0 111.106 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.71 -26.14 15.28 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.407 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -124.57 60.77 1.16 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.185 0.517 . . . . 0.0 111.364 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.2 t80 . . . . . 0 N--CA 1.465 0.323 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.149 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.528 0 CA-C-O 119.62 -0.544 . . . . 0.0 112.412 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -78.74 130.97 9.97 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 122.399 2.066 . . . . 0.0 112.156 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.412 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 3.0 ppp? -138.69 166.42 25.36 Favored Pre-proline 0 CA--C 1.547 0.849 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.616 -178.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 4' ' ' MET . 3.5 Cg_endo -44.68 147.27 1.84 Allowed 'Trans proline' 0 C--N 1.383 2.361 0 C-N-CA 123.466 2.778 . . . . 0.0 113.769 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 7' ' ' LEU . 9.7 mtmp? -75.65 -24.73 56.41 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.871 -178.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 6' ' ' LYS . 3.7 mm? 78.44 -50.92 0.48 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.466 1.106 . . . . 0.0 110.605 -177.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.4 -166.22 2.48 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.62 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -121.23 -42.19 2.48 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.477 0.18 . . . . 0.0 111.424 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.443 ' HG2' ' HG3' ' A' ' 99' ' ' LYS . 99.3 mtt180 -126.54 161.83 27.08 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.082 0.468 . . . . 0.0 111.528 -179.548 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.518 ' HB3' HD23 ' A' ' 53' ' ' LEU . 46.8 pttt -129.63 174.13 9.97 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.477 -179.072 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.445 HD11 ' HD2' ' A' ' 54' ' ' LYS . 91.8 mt -119.47 114.43 22.28 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.88 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 60.2 m -121.84 171.71 8.7 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.591 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.469 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -80.18 -42.45 23.34 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -126.06 174.25 8.6 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -67.04 -19.79 65.74 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.336 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -88.63 -19.11 26.66 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.608 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.7 t 59.1 27.04 15.88 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 124.043 0.84 . . . . 0.0 109.684 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.6 t -102.73 41.41 1.25 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-N 114.528 -1.214 . . . . 0.0 109.756 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -142.64 143.17 25.13 Favored Pre-proline 0 CA--C 1.537 0.445 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.355 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.402 ' HB2' HD12 ' A' ' 91' ' ' LEU . 35.5 Cg_endo -90.02 116.68 0.64 Allowed 'Trans proline' 0 C--N 1.365 1.424 0 C-N-CA 122.618 2.212 . . . . 0.0 111.762 179.004 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.5 mt -65.61 -65.57 0.56 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.108 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.418 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.5 m -138.54 144.56 39.97 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.026 0.441 . . . . 0.0 112.153 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -90.75 113.84 26.04 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.87 146.95 39.27 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.7 t -94.72 139.66 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.979 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.24 134.22 33.85 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mp -110.74 -0.3 17.11 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -178.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -142.82 170.39 15.79 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -96.06 137.3 35.34 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 114.262 -1.336 . . . . 0.0 109.296 177.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -150.74 143.13 24.31 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.707 0.289 . . . . 0.0 111.244 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.419 ' HA ' HG23 ' A' ' 40' ' ' THR . 97.2 mmm -113.49 142.13 46.29 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.05 178.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.62 112.46 39.92 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.99 -58.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.364 1.351 0 C-N-CA 122.589 2.193 . . . . 0.0 112.285 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -91.45 169.0 11.13 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.454 0.645 . . . . 0.0 112.497 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 38.1 t -61.03 -24.78 66.43 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 114.508 -1.224 . . . . 0.0 114.083 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.434 ' HE ' ' HB3' ' A' ' 105' ' ' PHE . 0.1 OUTLIER -102.38 15.94 27.7 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -178.418 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -109.07 162.91 13.8 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.04 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.557 ' HG ' ' HA3' ' A' ' 78' ' ' GLY . 37.9 mt -113.1 148.33 35.5 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -178.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.419 HG23 ' HA ' ' A' ' 32' ' ' MET . 61.3 m -99.57 111.59 23.92 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 177.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 64.9 mt -110.56 152.55 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.904 -178.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -118.89 150.29 40.12 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.018 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -63.21 102.21 0.37 Allowed 'General case' 0 CA--C 1.535 0.373 0 O-C-N 123.412 0.445 . . . . 0.0 110.752 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.16 16.94 9.21 Favored Glycine 0 C--N 1.341 0.839 0 CA-C-N 115.908 -0.587 . . . . 0.0 113.203 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -91.96 143.93 25.98 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.96 0.38 . . . . 0.0 111.735 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.2 t -83.1 115.86 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.557 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.7 t -120.1 132.69 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.734 0.302 . . . . 0.0 111.366 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -101.36 124.34 46.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.318 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.9 t -86.7 130.11 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.542 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -111.99 -40.94 4.09 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.699 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.413 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 62.8 p -138.01 143.87 40.8 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -122.12 113.62 19.76 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.632 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.518 HD23 ' HB3' ' A' ' 11' ' ' LYS . 71.0 mt -73.03 148.29 44.27 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.445 ' HD2' HD11 ' A' ' 12' ' ' LEU . 56.8 mtpt -123.36 168.16 12.87 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.264 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.38 -117.08 4.98 Favored Glycine 0 C--N 1.337 0.589 0 CA-C-N 116.077 -0.511 . . . . 0.0 112.737 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 83.5 mtm-85 -71.35 -31.67 67.64 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.784 0.326 . . . . 0.0 110.777 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -110.72 50.77 0.74 Allowed Glycine 0 C--N 1.334 0.448 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.833 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -68.63 -18.29 64.27 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 pp -104.32 6.53 35.32 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.691 0.282 . . . . 0.0 111.049 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -104.57 118.12 35.81 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.145 0.498 . . . . 0.0 110.932 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 36.1 m0 -109.24 179.65 4.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.168 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -160.05 156.64 27.89 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.324 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 169.8 -147.25 10.69 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.319 -0.467 . . . . 0.0 112.366 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.8 p -136.63 128.49 29.19 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.609 0.242 . . . . 0.0 110.51 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 p -88.03 126.44 41.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.227 0.537 . . . . 0.0 111.769 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.293 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.27 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.11 -35.94 78.94 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.668 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -99.03 146.57 25.91 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.247 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 27.0 mt -106.4 128.03 53.73 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.654 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.557 ' HA3' ' HG ' ' A' ' 39' ' ' LEU . . . -119.58 -173.84 15.47 Favored Glycine 0 C--N 1.334 0.449 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.203 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -129.67 147.7 51.48 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.656 0.265 . . . . 0.0 111.04 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -146.86 156.5 47.78 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.529 -178.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -77.73 126.85 8.38 Favored 'Trans proline' 0 C--N 1.37 1.667 0 C-N-CA 122.6 2.2 . . . . 0.0 112.085 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.426 ' HA ' HG22 ' A' ' 85' ' ' VAL . 98.1 p -63.37 -18.66 63.91 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.159 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.1 m -62.78 -17.05 60.48 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.6 pt -107.33 -6.92 10.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.426 HG22 ' HA ' ' A' ' 82' ' ' SER . 22.9 m -105.8 161.28 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 120.644 -0.423 . . . . 0.0 111.766 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.6 ttt-85 -140.67 109.4 5.99 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.753 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -72.63 133.4 44.65 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.532 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -127.22 -34.28 2.32 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.059 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -141.15 124.35 16.47 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.9 m -88.76 126.23 35.24 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.2 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.402 HD12 ' HB2' ' A' ' 21' ' ' PRO . 13.8 mt -87.53 -42.6 12.64 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.849 -179.361 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -144.7 133.35 10.99 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.697 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -61.25 131.15 35.1 Favored 'Trans proline' 0 C--N 1.367 1.508 0 C-N-CA 122.644 2.229 . . . . 0.0 113.788 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.469 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -106.59 93.45 0.86 Allowed Glycine 0 C--N 1.335 0.515 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.309 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -137.36 36.12 2.5 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 81.2 t -128.06 113.67 31.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.147 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -81.19 122.68 27.69 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.4 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 23.1 t -125.98 138.4 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.912 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.443 ' HG3' ' HG2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -79.86 153.97 28.7 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.587 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 46.0 p -98.97 135.42 40.4 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.807 0.337 . . . . 0.0 111.032 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -86.7 -174.62 5.06 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.482 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -1.58 56.67 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -102.76 21.46 15.45 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.85 0.357 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -109.18 -15.21 14.35 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.644 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.434 ' HB3' ' HE ' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -151.43 47.94 0.82 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.017 0.437 . . . . 0.0 111.813 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 31.6 t80 . . . . . 0 N--CA 1.467 0.411 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.309 179.445 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.47 0 CA-C-O 119.563 -0.576 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -81.23 111.22 2.37 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 122.498 2.132 . . . . 0.0 112.186 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -116.54 155.24 48.93 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.847 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -55.68 146.57 64.77 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 122.809 2.34 . . . . 0.0 112.962 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -61.33 136.58 58.09 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.129 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.84 -38.52 28.1 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.21 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -156.1 179.56 9.11 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.532 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -101.79 -61.23 1.41 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.029 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -118.78 150.67 39.4 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.024 0.44 . . . . 0.0 111.248 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.437 ' HB3' HD23 ' A' ' 53' ' ' LEU . 52.4 pttt -124.68 172.45 9.26 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.608 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.2 mt -116.81 113.64 22.82 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.466 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 63.2 m -117.43 176.94 4.93 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.54 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.454 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -81.56 -28.61 33.78 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -152.0 177.97 9.92 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.224 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -63.48 -20.93 66.01 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.313 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.1 mp0 -88.53 -21.54 24.06 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.887 -0.142 . . . . 0.0 111.07 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.9 t 54.77 31.73 16.08 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.771 0.796 . . . . 0.0 109.939 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.3 t -97.71 -5.13 35.82 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 114.722 -1.126 . . . . 0.0 111.205 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -102.12 149.94 37.04 Favored Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.669 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -93.2 128.97 0.72 Allowed 'Trans proline' 0 C--N 1.366 1.475 0 C-N-CA 122.861 2.374 . . . . 0.0 112.223 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.6 mt -71.85 -61.76 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.18 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.7 m -139.66 147.29 40.79 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 24.5 ttp -89.73 111.59 22.62 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.944 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.42 145.16 39.44 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.854 0.359 . . . . 0.0 111.884 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.8 t -99.5 139.09 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.363 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.71 133.48 34.01 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.184 0.303 . . . . 0.0 111.442 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.38 -14.81 19.01 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.509 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -151.68 -175.76 5.34 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.87 154.7 17.47 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.189 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -151.14 149.39 29.42 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.07 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.532 ' HA ' HG23 ' A' ' 40' ' ' THR . 67.3 mtm -125.1 140.1 53.19 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.831 0.348 . . . . 0.0 111.079 179.114 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.434 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . . . -94.5 116.15 66.07 Favored Pre-proline 0 C--O 1.236 0.343 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.543 -178.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 10.2 Cg_exo -72.31 -64.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.363 1.321 0 C-N-CA 122.342 2.028 . . . . 0.0 110.88 178.666 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -92.55 170.42 9.76 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.443 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.9 t -66.33 -12.53 57.17 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.79 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -83.27 -19.17 36.82 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -98.2 172.85 7.32 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.778 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.4 tp -126.17 138.96 53.7 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.743 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.532 HG23 ' HA ' ' A' ' 32' ' ' MET . 24.4 m -92.41 125.16 36.94 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.7 mt -125.25 151.64 31.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.543 -178.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -118.92 153.48 34.51 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -62.45 116.02 4.73 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.742 0.306 . . . . 0.0 111.491 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.34 2.24 44.36 Favored Glycine 0 C--N 1.339 0.703 0 C-N-CA 121.052 -0.594 . . . . 0.0 114.165 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -82.67 147.32 28.59 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 117.701 0.75 . . . . 0.0 111.677 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.1 t -85.91 105.06 14.14 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-N 115.326 -0.852 . . . . 0.0 108.787 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.447 HG22 HG12 ' A' ' 65' ' ' VAL . 11.5 t -105.41 117.68 51.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 120.968 0.413 . . . . 0.0 111.891 -178.514 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -85.53 121.91 28.9 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.873 178.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.8 t -87.44 114.76 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 O-C-N 123.371 0.419 . . . . 0.0 110.283 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -94.38 -38.39 10.99 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.104 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.4 p -141.68 148.5 39.2 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -178.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -120.76 115.76 23.92 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.348 -0.842 . . . . 0.0 108.772 178.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.437 HD23 ' HB3' ' A' ' 11' ' ' LYS . 53.5 mt -70.93 152.67 43.4 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -178.307 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -126.72 -40.43 1.91 Allowed 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.885 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.58 103.85 0.55 Allowed Glycine 0 C--N 1.341 0.845 0 O-C-N 123.496 0.498 . . . . 0.0 113.039 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 42.54 27.86 0.1 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.723 1.209 . . . . 0.0 113.349 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -160.79 52.5 0.34 Allowed Glycine 0 C--N 1.337 0.626 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.052 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -72.4 -13.76 61.54 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 111.567 0.21 . . . . 0.0 111.567 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 73.7 mt -90.86 1.28 57.1 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.499 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -112.84 124.76 53.33 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.332 0.587 . . . . 0.0 111.43 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -110.54 -174.23 2.43 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.03 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -160.24 151.02 21.53 Favored Glycine 0 C--N 1.334 0.431 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.915 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 175.02 -152.34 13.54 Favored Glycine 0 C--O 1.24 0.518 0 C-N-CA 121.389 -0.434 . . . . 0.0 112.699 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.4 t -138.69 168.8 19.0 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 123.731 0.312 . . . . 0.0 110.608 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.447 HG12 HG22 ' A' ' 47' ' ' VAL . 1.3 m -105.39 121.41 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 C--O 1.236 0.347 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.722 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.288 0 CA-C-O 120.581 0.229 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.1 -37.15 69.6 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.982 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -78.78 98.91 6.47 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.657 0.741 . . . . 0.0 110.846 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.2 tp -91.3 132.18 36.32 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.922 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -142.66 -177.98 18.18 Favored Glycine 0 C--N 1.34 0.784 0 C-N-CA 120.276 -0.964 . . . . 0.0 113.627 -179.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -111.15 156.46 21.35 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.724 0.297 . . . . 0.0 111.347 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -154.13 156.87 32.27 Favored Pre-proline 0 CA--C 1.544 0.716 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.811 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.477 ' O ' HG12 ' A' ' 84' ' ' ILE . 8.6 Cg_exo -72.18 136.01 26.04 Favored 'Trans proline' 0 C--N 1.369 1.643 0 C-N-CA 122.239 1.96 . . . . 0.0 111.704 179.399 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 98.2 p -64.86 -23.93 67.38 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.585 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.6 m -66.55 -17.68 64.95 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -179.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.504 HG13 HG13 ' A' ' 85' ' ' VAL . 21.1 pt -94.18 -6.83 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 120.407 -0.517 . . . . 0.0 112.308 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.504 HG13 HG13 ' A' ' 84' ' ' ILE . 34.5 m -122.38 166.97 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.879 0.371 . . . . 0.0 111.779 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -140.56 116.81 10.62 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.55 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -77.53 128.58 34.4 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.42 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -123.35 -36.25 2.84 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.735 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.64 136.92 37.92 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -178.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.3 m -98.69 124.98 43.85 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.6 mt -86.19 -40.57 15.47 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.844 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt -154.4 134.11 7.73 Favored Pre-proline 0 CA--C 1.544 0.717 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.805 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -50.5 132.96 36.73 Favored 'Trans proline' 0 C--N 1.373 1.842 0 C-N-CA 123.118 2.545 . . . . 0.0 114.517 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.454 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -111.99 82.37 0.3 Allowed Glycine 0 C--N 1.334 0.462 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 178.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.42 36.71 4.35 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -178.084 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.0 t -126.12 115.31 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.135 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -86.17 119.92 26.97 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.268 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 26.3 t -128.86 132.74 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.117 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.29 160.75 22.84 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.793 -0.185 . . . . 0.0 110.659 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 79.6 p -103.6 139.58 38.7 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.77 0.319 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -90.32 -175.13 4.4 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.856 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -18.41 49.5 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.798 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -80.1 -4.27 52.16 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -84.65 -37.9 20.48 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.644 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -93.22 -15.13 26.24 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.525 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 11.0 t80 . . . . . 0 CA--C 1.533 0.312 0 CA-C-O 120.961 0.41 . . . . 0.0 110.715 -179.224 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.62 0 CA-C-O 119.584 -0.564 . . . . 0.0 112.612 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -78.56 121.84 5.3 Favored 'Trans proline' 0 C--N 1.362 1.247 0 C-N-CA 122.4 2.066 . . . . 0.0 112.188 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 21.0 ptm -139.72 157.65 69.5 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.706 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.68 144.02 66.66 Favored 'Trans proline' 0 C--N 1.373 1.866 0 C-N-CA 122.646 2.231 . . . . 0.0 112.675 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -70.72 139.06 51.05 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.341 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.423 HD22 HH12 ' A' ' 37' ' ' ARG . 28.9 tp -74.26 -44.1 54.27 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.979 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.442 ' HB3' HD22 ' A' ' 53' ' ' LEU . . . -144.53 174.56 10.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.525 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.435 ' HB3' ' HD2' ' A' ' 10' ' ' ARG . 23.4 t70 -109.6 -45.92 3.6 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.391 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.435 ' HD2' ' HB3' ' A' ' 9' ' ' ASP . 2.4 mpt_? -123.2 155.55 36.88 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 121.525 0.679 . . . . 0.0 111.708 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.544 ' HB3' HD23 ' A' ' 53' ' ' LEU . 44.3 pttt -131.86 169.34 16.39 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 114.52 -1.218 . . . . 0.0 109.931 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 mp -126.83 116.15 20.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.754 0.311 . . . . 0.0 110.922 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.58 ' HA ' HD11 ' A' ' 22' ' ' ILE . 37.5 m -114.56 179.09 4.05 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.388 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.442 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -80.76 -41.08 24.05 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.531 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -124.81 171.06 10.44 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.155 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -70.66 -16.34 62.8 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 120.938 0.399 . . . . 0.0 110.437 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -88.27 -19.09 27.25 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.258 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.1 t 56.06 31.57 18.36 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 124.068 0.855 . . . . 0.0 109.818 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.0 t -96.93 -7.68 32.61 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 114.593 -1.185 . . . . 0.0 111.125 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -98.01 146.46 31.53 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.739 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.432 ' HB2' HD12 ' A' ' 91' ' ' LEU . 36.2 Cg_endo -90.21 119.93 0.8 Allowed 'Trans proline' 0 C--N 1.366 1.481 0 C-N-CA 122.846 2.364 . . . . 0.0 111.859 178.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.58 HD11 ' HA ' ' A' ' 13' ' ' CYS . 50.4 mt -68.75 -66.07 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.817 -179.032 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.4 p -135.49 138.32 43.01 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -89.81 111.07 21.97 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.122 -0.945 . . . . 0.0 108.628 178.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.36 145.13 42.2 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.271 -0.422 . . . . 0.0 112.045 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.9 t -95.56 141.96 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.627 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.85 131.42 34.52 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.844 0.354 . . . . 0.0 111.297 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -92.16 -6.48 50.63 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.412 ' HA ' ' HB2' ' A' ' 43' ' ' ARG . 2.7 pt20 -166.29 -175.8 3.41 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -89.01 148.65 23.64 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.665 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -151.7 135.87 16.67 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.108 179.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.547 ' HA ' HG23 ' A' ' 40' ' ' THR . 15.5 tpt -112.46 139.44 48.03 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.269 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.97 107.56 23.72 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -77.22 -44.0 0.21 Allowed 'Trans proline' 0 C--N 1.363 1.338 0 C-N-CA 122.489 2.126 . . . . 0.0 112.404 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.19 158.05 16.84 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.596 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.5 p -59.27 -38.72 80.82 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.423 HH12 HD22 ' A' ' 7' ' ' LEU . 7.8 ppt_? -91.73 16.15 11.32 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -178.557 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -99.71 168.26 10.03 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 177.089 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.53 HD21 HG23 ' A' ' 65' ' ' VAL . 43.5 tp -124.27 133.66 53.43 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.645 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.547 HG23 ' HA ' ' A' ' 32' ' ' MET . 27.8 m -89.99 118.65 29.71 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.502 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.5 mt -122.25 152.98 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -118.72 156.77 28.73 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.934 0.397 . . . . 0.0 111.047 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.412 ' HB2' ' HA ' ' A' ' 29' ' ' GLN . 20.8 tpt180 -63.59 119.63 10.2 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.449 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.55 1.55 62.09 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 115.765 -0.652 . . . . 0.0 114.203 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -85.75 157.3 20.3 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 117.578 0.689 . . . . 0.0 111.94 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 13.9 t -93.32 126.32 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.671 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.462 HG22 HG22 ' A' ' 65' ' ' VAL . 18.1 t -125.25 123.64 65.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 120.836 0.35 . . . . 0.0 111.362 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -92.64 120.85 33.48 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.887 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.1 t -87.12 124.44 40.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.121 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -103.52 -31.15 10.09 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.813 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.455 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 73.2 p -144.45 149.72 36.48 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -124.9 114.43 19.17 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.333 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.544 HD23 ' HB3' ' A' ' 11' ' ' LYS . 27.5 mt -72.98 150.33 42.56 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.898 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -131.83 -42.25 1.02 Allowed 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.47 100.82 0.33 Allowed Glycine 0 C--N 1.336 0.572 0 O-C-N 123.428 0.455 . . . . 0.0 113.025 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 75.5 mtt85 58.84 19.09 6.65 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.579 0.751 . . . . 0.0 112.435 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.31 49.94 0.35 Allowed Glycine 0 C--N 1.336 0.565 0 C-N-CA 121.496 -0.383 . . . . 0.0 112.193 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.418 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 38.2 ptt180 -68.8 -20.86 64.34 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 64.0 mt -92.6 12.32 23.52 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.843 0.354 . . . . 0.0 110.658 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -121.83 125.73 47.15 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.063 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 47.5 m0 -113.98 -175.96 2.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.622 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -159.97 150.51 20.78 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.623 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 175.16 -150.1 10.8 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 121.435 -0.412 . . . . 0.0 112.431 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.8 t -140.59 145.85 37.24 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.586 0.231 . . . . 0.0 110.794 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.53 HG23 HD21 ' A' ' 39' ' ' LEU . 97.0 t -85.05 127.22 40.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.067 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 . . . . . 0 CA--C 1.533 0.296 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.663 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.327 0 CA-C-O 121.241 0.543 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.86 -14.13 23.44 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.486 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.46 163.6 32.4 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.423 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.4 mt -119.15 128.15 54.0 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.936 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -124.04 171.14 16.3 Favored Glycine 0 C--N 1.335 0.485 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.098 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -106.53 155.23 19.82 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.915 0.388 . . . . 0.0 111.264 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -153.44 154.59 30.76 Favored Pre-proline 0 CA--C 1.541 0.631 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.642 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.444 ' O ' HG12 ' A' ' 84' ' ' ILE . 7.6 Cg_exo -73.16 135.0 22.08 Favored 'Trans proline' 0 C--N 1.369 1.606 0 C-N-CA 122.145 1.897 . . . . 0.0 111.75 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 98.7 p -64.95 -22.78 67.06 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.418 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.7 t -66.23 -21.09 66.29 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 81' ' ' PRO . 20.2 pt -92.63 -6.26 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 120.461 -0.496 . . . . 0.0 112.337 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.403 HG13 HG13 ' A' ' 84' ' ' ILE . 22.7 m -119.7 167.85 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-O 120.979 0.418 . . . . 0.0 112.027 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -140.74 116.95 10.61 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.347 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -71.51 131.46 43.32 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.406 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -121.01 -39.08 2.74 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.681 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.79 143.31 30.59 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.082 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 57.8 m -103.04 121.61 42.93 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.432 HD12 ' HB2' ' A' ' 21' ' ' PRO . 12.0 mt -86.42 -32.51 20.85 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.286 -178.658 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 tpmt? -153.42 131.6 6.43 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.127 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -59.55 124.62 15.86 Favored 'Trans proline' 0 C--N 1.368 1.554 0 C-N-CA 122.932 2.422 . . . . 0.0 113.867 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -98.58 91.65 1.14 Allowed Glycine 0 C--N 1.335 0.498 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 178.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -129.24 25.29 5.5 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.7 t -118.15 121.76 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -93.01 105.22 17.35 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.128 0.49 . . . . 0.0 111.605 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.534 HG12 ' H ' ' A' ' 99' ' ' LYS . 1.7 t -105.48 178.82 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.534 ' H ' HG12 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -132.94 165.97 23.45 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 118.107 0.412 . . . . 0.0 110.773 -179.863 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.5 p -93.75 169.6 10.19 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.615 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -123.86 -174.97 3.11 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.174 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -68.86 -37.77 79.31 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.83 0.452 . . . . 0.0 112.214 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 55.3 m95 -88.71 48.01 1.58 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.089 0.471 . . . . 0.0 111.963 -178.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -127.0 -19.2 4.46 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.918 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -123.51 -16.19 6.87 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 16.2 t80 . . . . . 0 CA--C 1.534 0.357 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.307 -179.575 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.547 0 CA-C-O 119.368 -0.685 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -66.14 149.62 85.54 Favored 'Trans proline' 0 C--N 1.364 1.344 0 C-N-CA 122.459 2.106 . . . . 0.0 112.182 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.548 ' HE1' ' HG2' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -156.12 166.01 17.34 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.502 -178.678 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -50.87 158.74 2.83 Favored 'Trans proline' 0 C--N 1.38 2.214 0 C-N-CA 122.403 2.068 . . . . 0.0 112.696 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -29.55 70.62 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.575 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.9 tp 75.44 -34.39 0.25 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.975 0.91 . . . . 0.0 111.829 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -156.85 -166.71 2.17 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 122.938 0.495 . . . . 0.0 110.193 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -129.68 -53.52 1.15 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.53 0.205 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.493 ' HG2' ' HG2' ' A' ' 99' ' ' LYS . 40.0 mtp85 -124.46 163.39 21.93 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.142 -179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.469 ' HD3' HG22 ' A' ' 100' ' ' THR . 34.2 pttt -132.92 167.31 20.47 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.197 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -111.39 119.29 38.33 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.321 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.568 ' HA ' HD11 ' A' ' 22' ' ' ILE . 79.6 m -121.92 171.42 8.93 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.838 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.541 ' HB1' ' HG2' ' A' ' 92' ' ' LYS . . . -87.44 -33.16 19.15 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.15 178.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.06 171.16 14.36 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.393 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -68.24 -18.15 64.49 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.145 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.5 mp0 -89.32 -15.92 32.29 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.728 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 90.4 m 57.06 28.08 14.34 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.459 0.647 . . . . 0.0 110.178 -178.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.4 t -96.75 -8.09 32.18 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.355 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -98.82 148.7 34.92 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.748 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.472 ' HB2' HD12 ' A' ' 91' ' ' LEU . 38.4 Cg_endo -91.65 118.76 0.52 Allowed 'Trans proline' 0 C--N 1.367 1.534 0 C-N-CA 122.92 2.414 . . . . 0.0 111.588 178.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.568 HD11 ' HA ' ' A' ' 13' ' ' CYS . 5.3 mp -67.7 -64.88 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.136 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.292 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 p -133.03 144.11 49.84 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.6 ttp -98.58 122.93 42.4 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 114.788 -1.096 . . . . 0.0 109.167 179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.482 ' HB2' ' CD ' ' A' ' 87' ' ' GLU . . . -120.44 158.72 26.61 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.72 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.5 t -109.26 135.47 48.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.719 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.0 139.17 38.26 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.907 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' A' ' 86' ' ' ARG . 3.7 mm? -100.35 -22.36 15.1 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.316 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -150.2 178.81 8.64 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -83.25 153.28 24.77 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.304 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -151.37 108.75 3.6 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.433 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -92.72 119.5 32.16 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.446 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . . . -73.4 116.86 55.39 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.055 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 2.8 Cg_exo -76.44 -61.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.363 1.293 0 C-N-CA 122.419 2.079 . . . . 0.0 111.846 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -91.44 165.1 13.56 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.245 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 29.5 t -57.82 -36.15 71.84 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 114.888 -1.051 . . . . 0.0 113.353 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.548 ' HG2' ' HE1' ' A' ' 4' ' ' MET . 0.2 OUTLIER -67.87 -18.45 64.81 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -178.042 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -94.2 163.85 13.28 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 117.888 0.313 . . . . 0.0 111.472 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.6 142.51 50.04 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.793 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 35.8 m -89.94 126.2 35.65 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.995 0.426 . . . . 0.0 110.802 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.0 mt -125.36 143.32 39.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.614 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -104.27 161.91 13.65 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.108 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -66.17 115.95 6.72 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.794 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.55 9.85 59.74 Favored Glycine 0 C--N 1.337 0.588 0 C-N-CA 121.034 -0.603 . . . . 0.0 113.575 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -82.29 143.21 31.47 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 117.153 0.476 . . . . 0.0 111.44 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 t -82.88 123.38 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.445 HG22 HG23 ' A' ' 65' ' ' VAL . 9.2 t -123.95 123.03 65.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 120.772 0.32 . . . . 0.0 111.429 -179.125 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -91.22 125.57 36.03 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.983 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.4 t -90.57 123.69 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.529 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -105.82 -20.5 13.42 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.879 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.426 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 72.6 p -158.08 138.93 13.06 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -116.3 111.11 19.64 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.627 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.438 HD23 ' HB3' ' A' ' 11' ' ' LYS . 36.7 mt -73.35 145.35 46.01 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.477 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 58' ' ' ARG . 55.9 mtmt -133.27 174.51 10.31 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.517 179.322 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.18 -104.39 3.17 Favored Glycine 0 C--N 1.337 0.589 0 C-N-CA 121.201 -0.523 . . . . 0.0 113.013 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.3 mmm-85 -75.55 -19.74 59.12 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 122.291 0.237 . . . . 0.0 111.234 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -145.54 68.84 0.4 Allowed Glycine 0 C--N 1.334 0.426 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.033 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.478 ' HA ' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -73.01 -5.49 39.16 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.798 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.0 mp -100.62 -6.74 24.8 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.604 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -97.15 128.44 44.06 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.382 0.61 . . . . 0.0 111.782 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 34.3 m0 -115.36 -179.27 3.59 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.162 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.26 156.59 28.05 Favored Glycine 0 C--N 1.333 0.414 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.693 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.62 -145.15 10.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.481 -0.39 . . . . 0.0 112.382 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.4 t -132.37 152.35 51.48 Favored 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.445 HG23 HG22 ' A' ' 47' ' ' VAL . 7.2 p -105.19 128.32 59.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 121.333 0.587 . . . . 0.0 111.616 -179.627 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 . . . . . 0 CA--C 1.531 0.227 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.225 179.772 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.246 0 CA-C-O 120.449 0.166 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.46 -38.3 71.3 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.687 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -89.43 151.38 22.05 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.385 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.0 mt -116.01 134.39 55.01 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.422 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -122.71 178.54 16.35 Favored Glycine 0 C--N 1.334 0.431 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.993 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.433 ' HD2' ' HD3' ' A' ' 37' ' ' ARG . 31.9 m-85 -119.18 147.57 44.06 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.778 0.323 . . . . 0.0 110.949 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -147.13 152.64 43.71 Favored Pre-proline 0 CA--C 1.54 0.579 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.975 -178.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -77.19 137.24 16.88 Favored 'Trans proline' 0 C--N 1.366 1.469 0 C-N-CA 122.457 2.105 . . . . 0.0 112.002 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 95.8 p -65.12 -19.69 66.11 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.535 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.3 t -66.24 -22.31 66.32 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.2 pt -95.52 -0.83 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.2 m -121.93 155.81 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.468 ' HB2' HD21 ' A' ' 28' ' ' LEU . 25.1 ttt85 -126.53 117.94 23.88 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.793 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.482 ' CD ' ' HB2' ' A' ' 25' ' ' ALA . 55.6 mm-40 -88.29 129.02 35.49 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.227 -179.138 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -138.35 -23.77 0.98 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.57 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -123.68 140.44 52.99 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.747 -178.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.0 m -122.17 114.53 20.99 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.472 HD12 ' HB2' ' A' ' 21' ' ' PRO . 10.9 mt -86.51 -13.82 44.87 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -176.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.541 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 1.9 tpmt? -172.55 135.01 0.77 Allowed Pre-proline 0 N--CA 1.477 0.877 0 O-C-N 123.346 0.404 . . . . 0.0 110.792 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.418 ' HD2' ' HG3' ' A' ' 92' ' ' LYS . 72.0 Cg_exo -56.83 127.88 27.65 Favored 'Trans proline' 0 C--N 1.368 1.586 0 C-N-CA 123.105 2.536 . . . . 0.0 113.441 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -101.72 77.79 0.37 Allowed Glycine 0 C--N 1.333 0.415 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.93 27.27 7.77 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -178.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.6 t -126.35 102.79 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -84.36 128.53 34.63 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.647 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 25.5 t -127.75 145.98 34.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.256 179.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.493 ' HG2' ' HG2' ' A' ' 10' ' ' ARG . 55.6 mtpt -80.63 161.11 24.84 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.47 0.176 . . . . 0.0 110.999 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.469 HG22 ' HD3' ' A' ' 11' ' ' LYS . 44.0 p -101.39 141.83 33.68 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -95.9 -179.6 4.76 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.334 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -18.61 58.59 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.176 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -81.46 -4.05 54.77 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -81.46 -26.54 35.2 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.18 58.03 1.64 Allowed 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.213 0.53 . . . . 0.0 111.935 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 21.2 t80 . . . . . 0 CA--C 1.535 0.403 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.215 179.089 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.386 0 CA-C-O 119.703 -0.498 . . . . 0.0 112.409 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -90.21 60.52 1.72 Allowed 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 123.109 2.539 . . . . 0.0 112.961 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.612 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -81.94 172.9 8.55 Favored Pre-proline 0 CA--C 1.562 1.431 0 CA-C-O 118.803 -0.618 . . . . 0.0 109.545 179.349 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.612 ' HD2' ' HB2' ' A' ' 4' ' ' MET . 17.7 Cg_endo -59.74 157.29 33.44 Favored 'Trans proline' 0 C--N 1.377 2.034 0 C-N-CA 122.889 2.393 . . . . 0.0 115.181 -177.384 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -90.31 -179.88 5.73 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.842 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.5 HD21 ' NH1' ' A' ' 37' ' ' ARG . 2.7 mm? -109.73 -45.74 3.61 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.007 179.053 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -135.92 -171.44 2.86 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.2 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 42.1 p-10 -124.36 -26.19 3.97 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.489 ' HE ' ' HE2' ' A' ' 99' ' ' LYS . 74.5 mtt85 -135.71 156.89 48.12 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.962 0.411 . . . . 0.0 111.191 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.449 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 38.0 pttt -137.41 177.39 7.9 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.61 -178.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' A' ' 51' ' ' SER . 3.9 mm? -118.7 113.25 20.88 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.36 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 85.1 m -117.17 176.23 5.23 Favored 'General case' 0 C--O 1.232 0.18 0 O-C-N 123.614 0.571 . . . . 0.0 110.265 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.442 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -83.43 -23.15 32.42 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.286 178.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -150.31 172.24 15.69 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.333 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -66.12 -17.87 64.99 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -91.8 -15.46 28.23 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.9 m 56.63 28.68 14.41 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.461 0.648 . . . . 0.0 110.127 -178.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.2 t -94.77 -7.96 38.92 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.411 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -100.76 148.05 34.49 Favored Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.443 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -93.5 130.19 0.74 Allowed 'Trans proline' 0 C--N 1.365 1.401 0 C-N-CA 122.852 2.368 . . . . 0.0 112.351 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.3 mt -74.49 -62.56 1.27 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.163 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.144 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.9 t -139.97 146.03 38.62 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.053 0.454 . . . . 0.0 111.957 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -93.64 126.12 38.64 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -127.34 150.68 49.49 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -178.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.8 t -102.52 135.28 40.44 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.153 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.99 130.31 37.31 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 86' ' ' ARG . 2.9 mm? -90.44 -27.26 19.39 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -147.87 176.96 9.72 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -79.01 150.97 31.79 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.341 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -151.43 136.05 17.08 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.415 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.0 mmm -115.39 137.13 52.37 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.235 0.334 . . . . 0.0 110.68 179.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.439 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . . . -94.51 118.54 66.93 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.342 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 4.7 Cg_exo -75.15 -67.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.363 1.325 0 C-N-CA 122.494 2.13 . . . . 0.0 111.489 179.17 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.0 170.5 9.61 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.66 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.9 t -64.73 -9.94 23.81 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -178.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.5 ' NH1' HD21 ' A' ' 7' ' ' LEU . 28.4 mtm105 -80.05 -25.91 39.94 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -95.93 164.49 12.7 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.937 0.399 . . . . 0.0 111.931 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.1 tp -120.34 138.72 53.57 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.741 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 41.3 m -88.29 121.82 31.12 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.9 mt -127.04 127.12 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.986 -178.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.438 ' H ' ' CD ' ' A' ' 45' ' ' GLN . 79.7 m-70 -88.96 159.26 17.73 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 177.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -63.14 117.14 6.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.694 -178.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.37 3.41 53.64 Favored Glycine 0 C--N 1.342 0.878 0 C-N-CA 120.965 -0.636 . . . . 0.0 114.312 179.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.438 ' CD ' ' H ' ' A' ' 42' ' ' HIS . 79.5 mt-30 -76.34 145.28 39.61 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 117.842 0.821 . . . . 0.0 111.783 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.8 t -88.23 103.08 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.8 t -110.28 126.94 67.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.852 0.358 . . . . 0.0 111.546 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -96.39 127.89 42.81 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.401 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.7 t -87.42 136.56 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.247 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -118.15 -31.17 5.1 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 112.126 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.449 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 37.4 p -148.32 147.68 29.57 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.323 0.861 . . . . 0.0 113.323 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -121.95 121.47 37.16 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.24 -0.891 . . . . 0.0 108.844 178.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.7 mt -66.18 150.29 48.99 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -89.01 -97.26 0.09 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.768 -179.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.57 154.5 45.69 Favored Glycine 0 C--N 1.344 0.985 0 C-N-CA 121.232 -0.508 . . . . 0.0 112.689 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? 74.9 -58.26 0.58 Allowed 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.565 1.146 . . . . 0.0 111.714 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.0 -55.55 7.9 Favored Glycine 0 C--N 1.338 0.643 0 CA-C-O 119.755 -0.47 . . . . 0.0 112.607 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 58.57 -77.37 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.277 1.031 . . . . 0.0 112.257 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.1 pp -86.57 -0.26 55.78 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.286 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -88.34 115.31 25.76 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.168 0.509 . . . . 0.0 110.631 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 42.2 m0 -107.79 -171.32 1.85 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.126 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -169.55 165.09 38.55 Favored Glycine 0 C--N 1.336 0.529 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.776 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 164.65 -144.89 9.75 Favored Glycine 0 C--N 1.337 0.617 0 N-CA-C 112.136 -0.386 . . . . 0.0 112.136 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 94.1 p -134.9 155.18 51.15 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.9 p -107.47 132.9 53.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-O 121.339 0.59 . . . . 0.0 111.977 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 CA--C 1.531 0.243 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.136 179.52 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.264 0 N-CA-C 111.412 0.152 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.32 -35.55 76.07 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.684 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -95.07 151.92 18.78 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.459 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 69.6 mt -115.35 125.1 52.8 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.214 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -112.01 -173.8 19.44 Favored Glycine 0 C--N 1.333 0.399 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.747 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -129.54 148.22 51.42 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.807 0.337 . . . . 0.0 110.72 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -151.05 154.86 34.64 Favored Pre-proline 0 CA--C 1.541 0.596 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.041 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -74.33 137.05 22.8 Favored 'Trans proline' 0 C--N 1.368 1.56 0 C-N-CA 122.315 2.01 . . . . 0.0 111.554 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.1 p -63.92 -20.85 66.16 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.414 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.2 p -65.9 -25.11 67.01 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.0 pt -92.69 -1.34 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.0 m -123.86 145.63 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 121.024 0.44 . . . . 0.0 112.051 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.67 ' HB2' HD21 ' A' ' 28' ' ' LEU . 78.7 ttt180 -117.18 108.16 15.33 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.964 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -80.92 103.23 10.61 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.456 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -94.22 -28.39 15.65 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.307 -178.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.8 129.8 18.42 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.364 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.5 m -90.77 124.62 35.27 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.6 mt -85.68 -38.94 17.78 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.875 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -155.43 135.07 8.04 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -53.48 132.82 50.62 Favored 'Trans proline' 0 C--N 1.371 1.72 0 C-N-CA 123.38 2.72 . . . . 0.0 114.508 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -112.78 76.72 0.23 Allowed Glycine 0 C--N 1.335 0.496 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 178.565 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -122.41 31.26 6.19 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.9 t -119.94 117.34 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.473 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -79.87 119.02 22.17 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.965 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.6 t -121.45 129.41 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.489 ' HE2' ' HE ' ' A' ' 10' ' ' ARG . 94.1 mttt -79.17 159.95 27.18 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.187 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 62.5 p -98.57 156.18 16.92 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.627 0.251 . . . . 0.0 110.795 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -111.52 -172.31 2.01 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.016 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.26 -42.35 65.71 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.466 -179.427 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -86.75 47.58 1.51 Allowed 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.702 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.28 -31.45 3.05 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -114.32 -0.32 13.88 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.272 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 21.5 t80 . . . . . 0 C--O 1.234 0.289 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.271 179.77 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.778 0.323 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 121.56 169.81 13.74 Favored Glycine 0 C--N 1.336 0.549 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.397 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -85.64 122.14 2.3 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.746 2.298 . . . . 0.0 113.132 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.403 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 34.7 mtm -118.28 160.06 40.95 Favored Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.645 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 4' ' ' MET . 27.8 Cg_endo -61.59 125.3 16.43 Favored 'Trans proline' 0 C--N 1.37 1.684 0 C-N-CA 121.765 1.644 . . . . 0.0 111.35 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -51.67 136.48 27.0 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.182 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.34 -31.38 69.79 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.588 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -152.05 -175.79 5.39 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.185 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -114.26 -45.81 3.02 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.391 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -125.99 156.57 39.63 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.124 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.629 ' HB3' HD23 ' A' ' 53' ' ' LEU . 39.3 pttt -134.64 177.76 7.53 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.49 -179.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.5 mt -121.03 138.72 54.04 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.207 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.416 ' HA ' HD11 ' A' ' 22' ' ' ILE . 78.3 m -140.46 172.83 12.17 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.491 0.495 . . . . 0.0 110.7 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.558 ' HB1' ' HE2' ' A' ' 92' ' ' LYS . . . -79.04 -31.9 44.75 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.885 0.374 . . . . 0.0 110.153 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -137.12 169.89 17.02 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.903 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -69.33 -12.64 61.84 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.393 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -90.09 -19.25 24.55 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.539 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.7 m 57.78 28.72 16.34 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 121.481 0.658 . . . . 0.0 110.23 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.6 t -94.65 -8.23 38.55 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.258 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -102.31 151.4 38.13 Favored Pre-proline 0 CA--C 1.536 0.427 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.175 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -91.33 120.43 0.63 Allowed 'Trans proline' 0 C--N 1.368 1.554 0 C-N-CA 122.876 2.384 . . . . 0.0 111.928 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.416 HD11 ' HA ' ' A' ' 13' ' ' CYS . 59.8 mt -63.93 -62.12 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.026 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.0 m -141.51 145.26 34.95 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.229 0.537 . . . . 0.0 112.306 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -88.71 121.56 31.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 114.9 -1.045 . . . . 0.0 108.676 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.566 ' HB2' ' HG2' ' A' ' 87' ' ' GLU . . . -122.07 150.86 41.54 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -178.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.4 t -104.0 141.94 18.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.269 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.15 132.62 35.08 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.221 0.326 . . . . 0.0 111.628 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.2 mp -102.73 -16.51 15.96 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -151.77 -179.86 7.81 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -88.0 152.44 22.04 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.018 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -151.35 134.74 16.12 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.142 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 64.1 mtt -109.39 133.44 53.06 Favored 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.27 0.356 . . . . 0.0 110.379 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.34 110.14 31.4 Favored Pre-proline 0 CA--C 1.537 0.47 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -78.46 -56.43 0.04 OUTLIER 'Trans proline' 0 C--N 1.364 1.37 0 C-N-CA 122.679 2.253 . . . . 0.0 112.288 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -91.26 167.06 12.59 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.486 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.1 t -58.28 -40.35 81.69 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.974 -1.012 . . . . 0.0 113.232 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.429 HH11 ' HB3' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -79.78 2.71 21.93 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -178.163 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -100.9 155.84 17.72 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 117.744 0.247 . . . . 0.0 110.902 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.464 HD13 HG23 ' A' ' 65' ' ' VAL . 5.6 mt -117.57 140.62 49.38 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.6 m -89.59 122.16 32.47 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 76.9 mt -128.62 122.82 58.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.425 ' H ' ' CD ' ' A' ' 45' ' ' GLN . 78.3 m-70 -89.26 160.76 16.76 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.222 178.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 70.2 ttt-85 -63.97 117.23 6.73 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.348 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.45 0.16 46.73 Favored Glycine 0 C--N 1.339 0.696 0 C-N-CA 120.855 -0.688 . . . . 0.0 114.194 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.425 ' CD ' ' H ' ' A' ' 42' ' ' HIS . 25.9 mt-30 -75.72 151.95 37.56 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 117.759 0.779 . . . . 0.0 111.867 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.1 t -90.66 115.08 29.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.996 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.9 t -124.05 124.9 69.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-O 120.891 0.377 . . . . 0.0 111.824 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -94.61 127.62 40.69 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.265 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.9 t -89.1 121.42 39.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.161 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -100.57 -34.44 9.9 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.764 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.7 p -145.49 145.24 30.99 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -117.78 117.97 30.78 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.398 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.629 HD23 ' HB3' ' A' ' 11' ' ' LYS . 33.2 mt -79.35 141.54 36.85 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.047 0.217 . . . . 0.0 111.433 -178.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 58' ' ' ARG . 9.1 mtpm? -133.88 175.68 9.25 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.47 -98.5 2.45 Favored Glycine 0 C--N 1.335 0.528 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.964 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 73.0 mmt-85 -79.35 -21.17 46.17 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 122.236 0.215 . . . . 0.0 111.456 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -144.43 67.66 0.43 Allowed Glycine 0 C--N 1.334 0.459 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.234 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -72.41 -7.65 50.89 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.809 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.2 mp -96.32 -7.64 34.77 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.812 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -102.07 133.52 46.77 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.401 0.619 . . . . 0.0 111.88 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 31.7 m0 -118.8 -175.91 2.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.731 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -160.58 159.87 31.31 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 121.188 -0.529 . . . . 0.0 112.305 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.38 -153.04 23.35 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 121.283 -0.484 . . . . 0.0 112.397 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.6 t -127.06 159.88 32.84 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 122.258 0.223 . . . . 0.0 110.586 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.464 HG23 HD13 ' A' ' 39' ' ' LEU . 43.9 t -111.89 122.47 66.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.264 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -93.77 134.07 36.49 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.416 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 141.05 -52.82 0.67 Allowed Glycine 0 C--N 1.334 0.438 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.437 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -107.46 117.85 35.17 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.553 0.216 . . . . 0.0 110.648 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -121.47 -70.09 0.8 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 13.4 p90 35.25 44.98 0.18 Allowed 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.697 1.199 . . . . 0.0 113.643 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 139.68 -81.83 0.25 Allowed Glycine 0 C--N 1.336 0.532 0 CA-C-N 115.883 -0.598 . . . . 0.0 112.461 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -131.7 -91.29 0.41 Allowed 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 119.154 -0.451 . . . . 0.0 111.467 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 tm? 64.93 -78.27 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.043 0.937 . . . . 0.0 111.62 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.61 78.14 5.07 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 120.81 0.338 . . . . 0.0 111.668 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -165.67 -17.26 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.553 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -110.45 -8.12 14.7 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.5 mt 60.1 176.47 0.09 Allowed 'General case' 0 N--CA 1.478 0.953 0 O-C-N 124.058 0.849 . . . . 0.0 112.713 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -169.51 -174.94 38.31 Favored Glycine 0 C--N 1.336 0.551 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.897 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -126.74 151.94 47.52 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.945 0.372 . . . . 0.0 111.196 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -154.97 150.84 21.89 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.918 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.45 ' O ' HG12 ' A' ' 84' ' ' ILE . 9.2 Cg_exo -72.73 142.4 35.65 Favored 'Trans proline' 0 C--N 1.367 1.51 0 C-N-CA 122.505 2.136 . . . . 0.0 111.983 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 97.2 p -64.33 -26.36 68.44 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.646 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.3 p -66.15 -16.18 63.75 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.529 HG13 HG13 ' A' ' 85' ' ' VAL . 22.6 pt -96.69 -4.77 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.529 HG13 HG13 ' A' ' 84' ' ' ILE . 34.0 m -127.16 163.92 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-O 121.05 0.452 . . . . 0.0 112.055 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.5 ttt180 -135.83 116.06 13.48 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.891 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.566 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 52.0 mt-10 -89.25 123.92 33.91 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.038 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -126.47 -25.96 3.37 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.613 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -121.83 127.01 50.08 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.409 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.7 m -108.8 118.93 38.06 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.2 mt -85.49 -23.74 27.65 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -177.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.558 ' HE2' ' HB1' ' A' ' 14' ' ' ALA . 11.5 mtpt -166.08 142.31 4.17 Favored Pre-proline 0 N--CA 1.476 0.834 0 O-C-N 123.737 0.648 . . . . 0.0 111.411 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -61.5 130.61 32.41 Favored 'Trans proline' 0 C--N 1.37 1.708 0 C-N-CA 122.97 2.447 . . . . 0.0 113.548 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -98.6 77.82 0.56 Allowed Glycine 0 C--N 1.333 0.39 0 N-CA-C 110.466 -1.054 . . . . 0.0 110.466 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.7 pttt -122.41 33.47 5.44 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -177.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 53.1 t -121.73 110.53 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -81.86 115.12 20.91 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.325 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 25.1 t -123.35 122.97 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.032 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.53 166.87 20.76 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.081 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.7 p -97.52 162.94 13.07 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -121.72 -167.77 1.58 Allowed 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.841 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -42.6 88.12 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.444 0.698 . . . . 0.0 112.698 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -72.01 -16.12 62.06 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -79.15 147.98 32.5 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 60.07 41.39 17.28 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.705 0.628 . . . . 0.0 110.566 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -149.44 114.51 5.43 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.093 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 60.1 m -111.17 143.3 42.14 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.734 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.755 179.665 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.731 0.3 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 166.88 168.89 29.75 Favored Glycine 0 C--N 1.332 0.328 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.423 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -82.1 101.97 1.18 Allowed 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 122.412 2.075 . . . . 0.0 112.248 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -113.03 159.92 32.88 Favored Pre-proline 0 CA--C 1.541 0.627 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.232 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -49.26 151.19 6.73 Favored 'Trans proline' 0 C--N 1.375 1.956 0 C-N-CA 123.218 2.612 . . . . 0.0 113.913 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -69.76 169.65 12.53 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.776 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.3 tp -118.76 -32.14 4.61 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.475 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -150.36 170.54 18.8 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.42 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -109.31 -41.56 4.61 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.94 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -134.78 162.13 33.24 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.638 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.456 ' HB3' HD23 ' A' ' 53' ' ' LEU . 36.8 pttt -137.97 170.09 16.64 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.19 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.0 mt -118.31 111.97 19.44 Favored 'General case' 0 CA--C 1.523 -0.086 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.388 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 64.7 m -108.8 178.14 4.56 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.809 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.533 ' HB1' ' HG2' ' A' ' 92' ' ' LYS . . . -88.68 -22.27 23.49 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.18 178.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -146.86 172.44 13.66 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.679 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -65.84 -26.33 67.61 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.972 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.11 -11.77 43.01 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 80.9 m 56.39 28.94 14.31 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.345 0.593 . . . . 0.0 110.119 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.4 t -97.43 0.57 47.94 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.683 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -105.54 146.86 33.63 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.711 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.403 ' HB2' HD12 ' A' ' 91' ' ' LEU . 36.0 Cg_endo -90.26 114.08 0.5 Allowed 'Trans proline' 0 C--N 1.365 1.435 0 C-N-CA 122.788 2.325 . . . . 0.0 111.613 178.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.8 mt -62.07 -59.53 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.4 t -136.76 171.35 14.62 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.239 0.542 . . . . 0.0 111.691 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 19.9 ttp -118.48 100.86 7.73 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.09 143.57 29.21 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.8 t -98.67 139.32 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.316 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.04 132.57 35.12 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.172 0.295 . . . . 0.0 111.261 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -97.25 -19.55 18.5 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -148.91 -177.3 5.73 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -90.49 148.28 22.84 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.889 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -151.41 134.95 16.22 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.791 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.503 ' HA ' HG23 ' A' ' 40' ' ' THR . 53.1 tpp -110.79 135.16 51.77 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.446 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . . . -78.51 114.99 47.96 Favored Pre-proline 0 CA--C 1.537 0.459 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -179.069 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 4.4 Cg_exo -77.43 -58.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.365 1.438 0 C-N-CA 122.473 2.116 . . . . 0.0 112.366 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -91.54 169.09 11.04 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.127 0.489 . . . . 0.0 112.015 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.1 t -63.25 -24.82 68.04 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -96.86 14.63 24.63 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -109.65 162.34 14.52 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.243 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.0 mt -113.92 145.33 41.66 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.503 HG23 ' HA ' ' A' ' 32' ' ' MET . 37.0 m -97.47 112.12 24.1 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 177.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.0 mt -113.88 147.83 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.6 -177.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -112.29 154.92 24.92 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.944 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -64.44 117.28 7.08 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.502 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.32 -2.64 50.49 Favored Glycine 0 C--N 1.339 0.709 0 C-N-CA 120.921 -0.657 . . . . 0.0 114.243 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -80.23 155.46 27.34 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 117.543 0.672 . . . . 0.0 111.631 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.1 t -95.08 117.45 38.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.035 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.569 HG22 HG13 ' A' ' 65' ' ' VAL . 21.5 t -114.9 124.29 71.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.092 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -91.52 121.49 33.26 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.444 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.3 t -88.22 122.76 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.074 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -101.61 -26.06 13.66 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 77.3 p -153.06 160.41 42.94 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -126.64 112.92 16.04 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.456 HD23 ' HB3' ' A' ' 11' ' ' LYS . 56.5 mt -69.79 153.3 43.53 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -178.214 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -133.4 154.93 50.34 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.534 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.74 110.57 0.14 Allowed Glycine 0 C--N 1.338 0.644 0 C-N-CA 121.311 -0.471 . . . . 0.0 112.926 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.0 mtp-105 71.17 -64.66 0.37 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.728 1.211 . . . . 0.0 111.59 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -103.96 44.97 1.38 Allowed Glycine 0 N--CA 1.451 -0.314 0 N-CA-C 111.684 -0.566 . . . . 0.0 111.684 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.8 ptt-85 -69.41 -11.27 60.68 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.3 mt -91.49 11.35 24.33 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.667 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -115.65 129.2 56.41 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.094 0.473 . . . . 0.0 111.313 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 38.0 m0 -111.16 138.46 47.57 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.802 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -102.24 159.6 17.86 Favored Glycine 0 C--N 1.33 0.202 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.152 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 159.44 -157.11 28.26 Favored Glycine 0 C--N 1.334 0.447 0 C-N-CA 121.375 -0.441 . . . . 0.0 112.48 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.4 p -130.06 157.67 41.74 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 122.179 0.192 . . . . 0.0 110.565 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.583 ' HB ' HD23 ' A' ' 73' ' ' LEU . 38.6 t -110.01 122.31 64.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.96 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -81.28 132.67 35.35 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.432 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 157.16 -38.62 0.56 Allowed Glycine 0 C--N 1.333 0.406 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.209 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -120.9 102.02 8.08 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.722 0.296 . . . . 0.0 110.782 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -119.54 74.84 1.03 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.366 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -147.23 12.72 1.07 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.632 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 126.98 24.09 1.36 Allowed Glycine 0 C--N 1.34 0.758 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.515 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 48.0 p-10 -155.32 173.54 16.49 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.848 0.324 . . . . 0.0 111.568 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.583 HD23 ' HB ' ' A' ' 65' ' ' VAL . 8.2 mp 62.31 -86.02 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.843 0 O-C-N 124.15 0.906 . . . . 0.0 112.18 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.61 77.89 9.74 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.041 0.448 . . . . 0.0 111.064 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.89 -40.15 0.1 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.192 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.71 8.57 5.35 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.981 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 57.6 mt 61.73 169.33 0.11 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.826 0.85 . . . . 0.0 113.245 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -162.91 -175.39 33.89 Favored Glycine 0 C--N 1.336 0.555 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.747 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -123.67 154.2 39.71 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.974 0.387 . . . . 0.0 111.299 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -154.47 150.38 21.88 Favored Pre-proline 0 CA--C 1.542 0.647 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.904 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.83 132.47 17.13 Favored 'Trans proline' 0 C--N 1.365 1.4 0 C-N-CA 122.217 1.944 . . . . 0.0 111.494 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 90.0 p -64.97 -18.7 65.5 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.596 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.6 p -65.94 -23.1 66.54 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 32.8 pt -95.94 -2.44 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 26.7 m -125.24 164.66 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 120.628 0.251 . . . . 0.0 111.586 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 64.1 ttt-85 -136.05 113.08 10.39 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.226 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -73.02 137.31 45.3 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.179 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -147.95 -41.92 0.17 Allowed 'General case' 0 C--O 1.234 0.25 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -115.76 107.8 15.52 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.4 m -81.82 113.69 19.94 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.721 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.403 HD12 ' HB2' ' A' ' 21' ' ' PRO . 12.6 mt -86.1 -12.97 48.65 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.593 -178.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.533 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -171.28 130.9 0.77 Allowed Pre-proline 0 CA--C 1.543 0.683 0 O-C-N 123.745 0.653 . . . . 0.0 110.459 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -53.76 130.39 38.78 Favored 'Trans proline' 0 C--N 1.369 1.65 0 C-N-CA 122.549 2.166 . . . . 0.0 113.09 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -108.65 94.31 0.84 Allowed Glycine 0 C--N 1.335 0.523 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.8 ptpp? -142.97 33.3 1.37 Allowed 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.3 t -116.64 132.32 66.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.912 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -98.91 117.83 34.29 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.87 0.367 . . . . 0.0 111.537 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 39.0 t -126.66 128.39 71.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.063 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -78.11 161.42 27.41 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.615 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.8 p -81.07 172.01 14.24 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.639 0.256 . . . . 0.0 111.207 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.59 -177.8 3.24 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.517 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -74.6 -40.37 61.61 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.409 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 62.5 m95 -76.71 -2.83 34.92 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.467 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -79.45 149.91 31.42 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 58.82 25.8 13.99 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.615 0.766 . . . . 0.0 111.102 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -137.39 110.03 7.53 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.423 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 53.9 t -111.39 114.49 27.66 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.333 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.641 -179.475 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.655 0.264 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 114.49 177.86 19.0 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.703 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -80.85 105.61 1.7 Allowed 'Trans proline' 0 C--N 1.363 1.306 0 C-N-CA 122.544 2.163 . . . . 0.0 111.933 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 42.8 mtm -117.11 166.07 13.93 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.463 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.72 154.0 22.29 Favored 'Trans proline' 0 C--N 1.378 2.109 0 C-N-CA 122.464 2.109 . . . . 0.0 112.554 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -74.28 171.93 12.75 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.476 0.655 . . . . 0.0 112.117 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.462 ' HB3' ' HZ ' ' A' ' 105' ' ' PHE . 4.8 tp -127.79 -31.89 2.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.22 -178.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.23 -176.38 4.59 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.621 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -124.74 -42.38 2.07 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 65.3 mtt85 -134.87 157.51 46.63 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.655 0.264 . . . . 0.0 111.193 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.609 ' HB3' HD23 ' A' ' 53' ' ' LEU . 21.4 pttm -138.02 165.37 26.74 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.641 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.5 mt -111.77 110.13 20.33 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.759 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 62.0 m -106.49 175.89 5.35 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 123.567 0.542 . . . . 0.0 111.045 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.459 ' HB1' ' HG2' ' A' ' 92' ' ' LYS . . . -89.8 -26.42 20.58 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.414 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -136.55 169.99 16.79 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.19 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -67.91 -22.14 65.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.178 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -89.36 -13.96 36.69 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.503 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.1 m 58.72 26.06 14.15 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.617 0.722 . . . . 0.0 109.964 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.3 t -101.39 0.09 36.37 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 114.792 -1.094 . . . . 0.0 111.035 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -101.79 145.94 31.37 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.629 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.457 ' HB2' HD12 ' A' ' 91' ' ' LEU . 36.2 Cg_endo -91.01 117.38 0.53 Allowed 'Trans proline' 0 C--N 1.366 1.476 0 C-N-CA 122.871 2.38 . . . . 0.0 111.717 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.4 mt -63.84 -64.73 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.245 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.0 m -139.46 142.48 37.37 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.041 0.448 . . . . 0.0 111.809 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -89.88 113.59 25.22 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.275 -0.875 . . . . 0.0 108.891 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.34 146.23 38.65 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.118 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.7 t -97.47 142.37 14.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.38 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.6 133.81 34.41 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.323 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.457 HD21 ' HB2' ' A' ' 86' ' ' ARG . 3.2 mm? -97.45 -16.88 19.96 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -179.118 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -148.94 178.21 8.89 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -86.83 149.82 24.56 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.174 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -151.37 124.58 8.77 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.536 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.492 ' HA ' HG23 ' A' ' 40' ' ' THR . 26.4 mmt -106.53 130.43 54.31 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . . . -112.78 130.33 23.58 Favored Pre-proline 0 C--O 1.234 0.289 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 1.1 Cg_endo -84.58 -61.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.362 1.285 0 C-N-CA 122.989 2.46 . . . . 0.0 112.618 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.409 ' OD1' ' HB2' ' A' ' 37' ' ' ARG . 2.1 p30 -92.12 170.97 9.41 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -179.228 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 33.6 t -66.24 -15.14 62.95 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.972 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.459 ' NH2' HD13 ' A' ' 7' ' ' LEU . 32.5 mtp180 -69.84 -21.07 63.4 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.658 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -121.9 156.86 32.45 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.591 -0.444 . . . . 0.0 111.479 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.9 mt -108.91 141.43 40.98 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.617 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.492 HG23 ' HA ' ' A' ' 32' ' ' MET . 31.9 m -89.18 108.96 19.9 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.1 mt -114.45 147.91 17.6 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.151 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -111.18 156.44 21.42 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.154 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -65.67 115.23 5.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.625 -178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.34 -0.57 53.81 Favored Glycine 0 C--N 1.339 0.722 0 C-N-CA 121.009 -0.615 . . . . 0.0 113.994 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -80.78 164.31 22.82 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 117.587 0.694 . . . . 0.0 111.788 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.3 t -98.07 116.18 40.09 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.117 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.533 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.7 t -112.42 128.15 69.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.632 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -97.63 120.41 37.96 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.762 -0.199 . . . . 0.0 110.514 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.0 t -86.18 120.91 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -99.94 -32.33 11.03 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.415 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 77.6 p -149.96 160.52 43.54 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -179.367 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -125.81 108.87 11.89 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.496 -0.775 . . . . 0.0 108.91 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.609 HD23 ' HB3' ' A' ' 11' ' ' LYS . 52.3 mt -67.62 155.74 38.46 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -178.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -132.81 -172.87 3.03 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.576 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.12 -104.21 2.94 Favored Glycine 0 C--N 1.339 0.749 0 C-N-CA 121.32 -0.467 . . . . 0.0 112.476 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.8 ptt-85 -103.04 -3.56 25.8 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.583 0.23 . . . . 0.0 110.802 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -133.6 53.65 0.79 Allowed Glycine 0 C--N 1.337 0.611 0 C-N-CA 121.186 -0.531 . . . . 0.0 112.512 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -72.49 -13.42 61.42 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 179.69 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.589 ' H ' HD23 ' A' ' 59' ' ' LEU . 1.2 pt? -95.23 5.2 52.41 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.715 179.211 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -107.48 120.35 41.93 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.048 0.451 . . . . 0.0 110.967 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 36.8 m0 -110.99 127.91 55.68 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.99 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.93 160.84 24.33 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.696 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 162.26 -153.52 24.2 Favored Glycine 0 C--N 1.334 0.423 0 N-CA-C 112.237 -0.345 . . . . 0.0 112.237 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.4 m -149.49 130.87 14.7 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.3 p -90.64 136.02 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.704 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -85.24 -174.78 5.41 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.339 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.34 -60.55 0.32 Allowed Glycine 0 C--N 1.339 0.727 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -114.23 -2.26 13.41 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -103.17 99.27 9.12 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.13 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.408 ' HE1' ' HB2' ' A' ' 72' ' ' ASP . 1.5 p90 -82.53 -129.38 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.589 -179.374 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.86 -44.92 6.56 Favored Glycine 0 C--N 1.345 1.075 0 CA-C-N 118.948 0.794 . . . . 0.0 113.692 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.408 ' HB2' ' HE1' ' A' ' 70' ' ' TYR . 1.8 m-20 -73.21 -24.17 60.48 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 mt -96.44 98.77 10.51 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.927 0.394 . . . . 0.0 111.955 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.405 ' H ' ' H ' ' A' ' 75' ' ' ALA . . . 175.08 -14.69 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.074 178.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.405 ' H ' ' H ' ' A' ' 74' ' ' ALA . . . -66.87 -38.62 86.65 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.698 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 -78.57 90.45 4.53 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.555 0.693 . . . . 0.0 109.986 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.98 125.86 27.65 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.239 -178.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -119.44 167.0 13.28 Favored Glycine 0 C--N 1.337 0.588 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.81 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -115.41 156.16 26.08 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.954 0.377 . . . . 0.0 111.065 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -152.14 153.58 31.32 Favored Pre-proline 0 CA--C 1.541 0.624 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.821 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -72.08 132.61 19.95 Favored 'Trans proline' 0 C--N 1.367 1.541 0 C-N-CA 122.369 2.046 . . . . 0.0 112.192 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 99.6 p -65.53 -22.07 66.68 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.333 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.8 t -66.25 -21.18 66.28 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.0 pt -99.35 0.64 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.1 m -119.6 156.1 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 120.801 0.334 . . . . 0.0 111.519 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.457 ' HB2' HD21 ' A' ' 28' ' ' LEU . 39.0 ttm180 -134.79 108.7 8.1 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.366 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -70.83 119.2 14.61 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.786 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -107.28 -39.5 5.67 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.328 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.87 144.06 41.2 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.722 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.4 m -102.92 120.68 41.05 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.457 HD12 ' HB2' ' A' ' 21' ' ' PRO . 12.0 mt -86.52 -27.1 24.21 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.753 -178.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.459 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -159.57 133.39 5.04 Favored Pre-proline 0 CA--C 1.543 0.703 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.585 -179.566 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.4 ' HD2' ' HG3' ' A' ' 92' ' ' LYS . 87.1 Cg_exo -55.31 127.53 26.64 Favored 'Trans proline' 0 C--N 1.369 1.644 0 C-N-CA 123.164 2.576 . . . . 0.0 113.643 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.427 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -103.31 81.07 0.35 Allowed Glycine 0 C--N 1.335 0.473 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.586 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -128.71 30.67 5.08 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.2 t -115.01 135.63 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.012 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -106.89 111.74 24.38 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.889 0.376 . . . . 0.0 111.093 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 33.7 t -125.49 129.76 72.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.16 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -78.9 162.94 25.68 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.59 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 75.3 p -87.52 143.7 27.08 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.072 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -101.57 -122.03 0.17 Allowed 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.08 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.01 -15.86 8.17 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 118.455 0.57 . . . . 0.0 111.459 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -85.27 -2.61 58.25 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.16 0.288 . . . . 0.0 111.592 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.82 -36.45 56.87 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.709 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.462 ' HZ ' ' HB3' ' A' ' 7' ' ' LEU . 65.6 m-85 -121.97 52.53 1.27 Allowed 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.659 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -150.15 104.06 3.23 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.272 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 58.4 m -117.34 91.5 3.59 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.453 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.974 179.367 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 116.64 174.79 17.47 Favored Glycine 0 CA--C 1.523 0.558 0 CA-C-O 119.452 -0.638 . . . . 0.0 112.241 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -80.0 121.72 4.57 Favored 'Trans proline' 0 C--N 1.359 1.095 0 C-N-CA 122.416 2.077 . . . . 0.0 112.606 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.74 178.53 1.62 Allowed Pre-proline 0 CA--C 1.556 1.208 0 CA-C-O 118.052 -0.975 . . . . 0.0 108.876 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -47.12 146.57 6.23 Favored 'Trans proline' 0 C--N 1.383 2.376 0 C-N-CA 122.738 2.292 . . . . 0.0 114.144 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.414 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -90.29 -5.07 56.71 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.056 -0.974 . . . . 0.0 112.191 -179.267 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 73.09 -37.96 0.4 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.043 0.937 . . . . 0.0 112.641 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.89 -169.75 3.45 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.246 0.218 . . . . 0.0 111.244 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -124.11 -41.17 2.22 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.433 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.434 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 10.4 mpt_? -123.75 151.27 43.42 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.776 0.322 . . . . 0.0 111.047 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -127.9 173.05 10.32 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.77 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.6 mt -123.28 120.5 33.28 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.981 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.422 ' HA ' HD11 ' A' ' 22' ' ' ILE . 74.4 m -122.67 176.05 6.17 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.738 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.52 ' HB1' ' HG2' ' A' ' 92' ' ' LYS . . . -80.44 -41.66 24.08 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.965 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -124.63 172.48 9.22 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.57 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -68.49 -20.95 64.63 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.62 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -88.76 -17.51 29.68 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.678 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.8 t 56.9 29.89 17.01 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.781 0.8 . . . . 0.0 109.851 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.3 t -94.19 -6.76 44.02 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 114.625 -1.171 . . . . 0.0 110.899 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -100.01 147.51 33.57 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.6 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.409 ' HB2' HD12 ' A' ' 91' ' ' LEU . 33.9 Cg_endo -91.43 123.32 0.77 Allowed 'Trans proline' 0 C--N 1.367 1.504 0 C-N-CA 122.883 2.389 . . . . 0.0 111.955 179.137 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.422 HD11 ' HA ' ' A' ' 13' ' ' CYS . 59.2 mt -68.21 -64.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.245 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.6 t -138.2 137.37 37.51 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.124 0.488 . . . . 0.0 112.223 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.431 ' HB2' HD11 ' A' ' 91' ' ' LEU . 16.4 tmm? -89.56 117.95 28.84 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.22 150.65 39.07 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -177.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.9 t -103.66 133.02 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.312 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.8 134.34 47.3 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.413 HD11 ' HB2' ' A' ' 86' ' ' ARG . 74.9 mt -101.05 -15.7 17.35 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.463 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -152.24 -177.23 6.06 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -92.4 151.82 20.05 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.491 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -151.68 135.35 16.28 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.499 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 92.0 mtp -107.17 132.88 52.54 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.442 0.464 . . . . 0.0 110.425 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . . . -92.44 116.29 66.24 Favored Pre-proline 0 CA--C 1.537 0.456 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 6.3 Cg_exo -79.43 -60.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.365 1.408 0 C-N-CA 122.793 2.329 . . . . 0.0 111.829 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -90.71 165.38 13.72 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.182 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.484 ' HB2' ' HB2' ' A' ' 107' ' ' CYS . 39.5 m -62.89 -26.72 68.92 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.614 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -67.41 -22.53 65.53 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -99.5 160.22 14.45 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.9 mt -114.59 141.66 47.46 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.949 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 93.8 m -89.92 116.16 27.77 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.5 mt -121.61 137.63 54.61 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.208 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -100.99 156.18 17.55 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.499 178.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -62.93 113.38 3.04 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.441 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.12 3.77 41.67 Favored Glycine 0 C--N 1.34 0.752 0 C-N-CA 121.026 -0.607 . . . . 0.0 114.413 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -81.97 146.2 29.87 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 117.928 0.864 . . . . 0.0 111.723 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.3 t -83.99 115.89 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.593 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.501 HG22 HG23 ' A' ' 65' ' ' VAL . 5.5 t -124.78 126.27 71.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-O 120.67 0.271 . . . . 0.0 110.848 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -92.88 137.08 32.68 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.745 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.4 HG22 ' HZ ' ' A' ' 80' ' ' PHE . 37.3 t -97.66 132.35 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.261 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -116.76 -37.28 3.68 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.719 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.1 p -136.07 148.34 48.26 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -125.71 112.83 16.55 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.185 178.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.3 mt -69.97 145.4 51.88 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -115.91 -176.62 2.98 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.91 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.84 -126.71 7.92 Favored Glycine 0 C--N 1.339 0.718 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.695 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.5 ptt-85 -78.22 -12.68 60.01 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.585 0.231 . . . . 0.0 111.365 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -119.55 53.99 0.66 Allowed Glycine 0 C--N 1.336 0.542 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.16 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -15.67 62.56 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 122.271 0.228 . . . . 0.0 111.553 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.553 ' H ' HD23 ' A' ' 59' ' ' LEU . 1.1 pt? -100.06 7.71 44.49 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.936 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -107.22 119.84 40.48 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.504 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 32.9 m0 -111.72 -171.87 1.93 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.856 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.468 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -166.42 157.63 30.2 Favored Glycine 0 C--N 1.336 0.582 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.38 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 171.61 -148.58 11.12 Favored Glycine 0 C--N 1.333 0.383 0 N-CA-C 112.09 -0.404 . . . . 0.0 112.09 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.3 p -133.45 138.63 46.28 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.501 HG23 HG22 ' A' ' 47' ' ' VAL . 7.6 p -90.6 126.43 43.38 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 121.235 0.541 . . . . 0.0 111.739 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -90.13 -19.24 24.51 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.77 -67.99 1.82 Allowed Glycine 0 C--N 1.342 0.879 0 CA-C-N 116.2 -0.455 . . . . 0.0 113.657 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.5 p-10 -112.85 153.21 28.24 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.54 0.21 . . . . 0.0 111.057 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -136.64 -97.78 0.21 Allowed 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 48.2 61.19 3.14 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 123.087 0.555 . . . . 0.0 111.231 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.06 130.86 3.55 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -178.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -39.16 113.97 0.36 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.686 0.794 . . . . 0.0 112.256 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.5 tp -146.96 -39.32 0.2 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.045 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.46 -8.29 59.02 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.412 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.93 -19.57 17.98 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.651 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.45 0.77 21.19 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.836 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.4 mt 57.79 -179.9 0.06 Allowed 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.44 -176.48 38.24 Favored Glycine 0 C--N 1.337 0.586 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.364 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.468 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 99.0 m-85 -134.89 147.64 49.89 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 117.097 0.448 . . . . 0.0 111.029 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.4 ' HZ ' HG22 ' A' ' 49' ' ' VAL . 40.4 p90 -152.71 158.13 33.22 Favored Pre-proline 0 CA--C 1.546 0.818 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.372 -178.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -76.97 135.82 15.93 Favored 'Trans proline' 0 C--N 1.368 1.6 0 C-N-CA 122.454 2.103 . . . . 0.0 111.962 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 97.0 p -65.91 -19.76 65.98 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.6 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.4 p -66.86 -16.84 64.57 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.9 pt -102.45 2.21 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.7 m -119.15 155.24 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.413 ' HB2' HD11 ' A' ' 28' ' ' LEU . 55.7 ttt180 -120.87 112.49 18.86 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.025 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -85.85 140.41 30.44 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.762 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -153.64 -30.69 0.12 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.759 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -122.88 119.67 31.21 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.4 m -102.38 115.88 31.47 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' ' 24' ' ' MET . 8.7 mt -86.04 -19.2 30.64 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -177.391 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.52 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -168.08 131.81 1.39 Allowed Pre-proline 0 N--CA 1.473 0.703 0 O-C-N 123.357 0.41 . . . . 0.0 110.993 -179.377 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -57.21 129.06 32.24 Favored 'Trans proline' 0 C--N 1.371 1.723 0 C-N-CA 123.029 2.486 . . . . 0.0 113.574 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -105.7 82.45 0.33 Allowed Glycine 0 C--N 1.333 0.39 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 179.002 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.2 ptpp? -125.12 29.49 6.09 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 53.4 t -115.93 133.95 60.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -103.11 117.05 33.68 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.906 0.384 . . . . 0.0 111.258 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.8 t -123.44 133.02 70.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.865 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.434 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 24.3 pttm -80.07 163.74 23.93 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.433 0.159 . . . . 0.0 110.821 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.0 p -94.72 157.84 15.78 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.423 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -111.14 -172.1 1.96 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.547 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.27 -17.73 51.34 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.766 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -76.33 -22.53 54.83 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.764 0.316 . . . . 0.0 110.385 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.21 139.82 38.94 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.854 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.407 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 80.9 m-85 58.23 46.05 16.34 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 123.951 0.782 . . . . 0.0 111.127 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -141.45 101.38 3.98 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.113 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.484 ' HB2' ' HB2' ' A' ' 36' ' ' CYS . 42.4 t -98.17 134.25 41.48 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.781 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.83 -179.937 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 ptp . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 121.605 0.717 . . . . 0.0 111.535 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -171.2 162.77 35.58 Favored Glycine 0 C--N 1.336 0.543 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.685 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -84.38 125.65 3.48 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 122.267 1.978 . . . . 0.0 113.229 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.503 ' HG3' HH21 ' A' ' 37' ' ' ARG . 4.6 ppp? -128.44 155.68 78.24 Favored Pre-proline 0 CA--C 1.542 0.639 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.172 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -50.16 131.07 30.07 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.864 2.376 . . . . 0.0 113.52 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -56.75 134.49 54.97 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.615 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.4 tp -78.93 -34.83 44.19 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.17 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.62 169.83 18.18 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.834 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -110.03 -53.66 2.65 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.16 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -117.16 148.61 41.44 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.931 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.1 pttt -127.73 176.55 7.45 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.042 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.3 mt -120.61 119.76 33.81 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.517 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 57.2 m -125.86 175.91 7.33 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.671 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.16 -39.2 34.06 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.087 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -128.79 172.45 11.27 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -67.53 -19.66 65.33 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.034 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -88.72 -19.41 26.14 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.786 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.6 t 56.08 30.91 17.16 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.828 0.823 . . . . 0.0 109.956 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.5 t -100.73 17.07 22.92 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.468 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.402 ' ND1' ' HD3' ' A' ' 92' ' ' LYS . 8.8 m170 -121.36 148.5 49.93 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.789 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.447 ' HB2' HD12 ' A' ' 91' ' ' LEU . 31.0 Cg_endo -90.01 119.99 0.84 Allowed 'Trans proline' 0 C--N 1.365 1.412 0 C-N-CA 122.696 2.264 . . . . 0.0 111.912 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.1 mt -62.83 -64.34 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.043 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.4 m -141.47 145.92 35.83 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.088 0.471 . . . . 0.0 112.021 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -89.53 114.62 26.18 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.244 -0.889 . . . . 0.0 108.82 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.52 143.39 45.66 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.957 0.408 . . . . 0.0 111.974 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.5 t -96.59 136.23 28.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.127 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.41 133.74 39.8 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.943 0.402 . . . . 0.0 111.628 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.3 mt -100.12 -16.62 17.77 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.163 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -153.24 -175.91 5.55 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.36 155.59 17.15 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.947 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -151.32 146.64 26.15 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.815 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -115.47 137.45 52.04 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.012 0.195 . . . . 0.0 110.629 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.14 111.3 46.03 Favored Pre-proline 0 CA--C 1.538 0.512 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -75.21 -59.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.365 1.42 0 C-N-CA 122.666 2.244 . . . . 0.0 112.785 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -91.04 170.96 9.6 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.214 0.531 . . . . 0.0 112.377 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.4 p -62.74 -24.4 67.68 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.601 HH11 ' HB3' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -99.54 16.44 23.31 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -178.202 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.454 ' HA ' ' H ' ' A' ' 79' ' ' TYR . 1.8 m-85 -109.51 163.58 13.3 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.739 HD21 HG23 ' A' ' 65' ' ' VAL . 54.2 tp -124.35 136.58 54.2 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -177.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.8 m -89.74 128.85 36.18 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.386 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 54.5 mt -128.29 149.06 32.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.79 -178.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -116.18 151.02 36.51 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -60.77 115.17 3.46 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.29 0.368 . . . . 0.0 111.698 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.14 6.72 44.9 Favored Glycine 0 C--N 1.339 0.728 0 CA-C-N 115.859 -0.609 . . . . 0.0 114.295 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -87.61 149.0 24.58 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 117.796 0.798 . . . . 0.0 112.21 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.1 t -80.63 117.0 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.072 0 CA-C-N 115.03 -0.986 . . . . 0.0 108.914 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.539 HG22 HG22 ' A' ' 65' ' ' VAL . 12.9 t -122.63 117.07 50.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.558 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -87.78 122.71 31.77 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.199 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.6 t -86.65 131.73 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -112.75 -33.16 6.19 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.0 p -146.93 148.37 31.7 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.8 mttm -120.57 114.03 21.13 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.6 mt -65.22 150.04 48.9 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -177.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -118.09 -41.2 2.9 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.017 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -66.97 100.83 0.59 Allowed Glycine 0 C--N 1.341 0.836 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.534 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.2 ptt85 43.88 25.02 0.08 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.995 1.318 . . . . 0.0 113.35 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -110.61 -58.69 0.49 Allowed Glycine 0 C--N 1.336 0.566 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 52.05 -74.89 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.145 1.378 . . . . 0.0 113.454 178.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 74.1 mt -75.94 -10.13 59.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.641 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -88.86 118.82 28.84 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.174 0.511 . . . . 0.0 110.783 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 52.6 m0 -110.45 -175.59 2.76 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.422 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -162.5 142.25 7.8 Favored Glycine 0 C--N 1.337 0.616 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.713 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.4 -147.08 6.52 Favored Glycine 0 C--N 1.337 0.635 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.777 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.6 p -136.08 169.58 17.38 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.584 0.226 . . . . 0.0 110.763 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.739 HG23 HD21 ' A' ' 39' ' ' LEU . 73.2 t -116.29 126.73 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.536 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -79.07 -93.94 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.093 178.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 76.87 -78.39 1.38 Allowed Glycine 0 C--N 1.343 0.948 0 C-N-CA 121.633 -0.317 . . . . 0.0 113.12 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -118.42 -34.98 3.88 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 122.431 0.292 . . . . 0.0 111.174 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.419 ' HA ' HD11 ' A' ' 73' ' ' LEU . 44.0 t80 58.44 93.09 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 O-C-N 124.312 1.008 . . . . 0.0 111.799 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -131.17 2.76 4.29 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.956 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.05 57.38 1.39 Allowed Glycine 0 C--N 1.339 0.731 0 C-N-CA 121.094 -0.574 . . . . 0.0 114.079 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -165.33 -40.53 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.616 0.246 . . . . 0.0 110.471 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.419 HD11 ' HA ' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -88.28 -18.42 28.6 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.165 -179.64 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.2 -20.54 30.04 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.677 0.275 . . . . 0.0 110.911 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.56 -176.59 4.35 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.421 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 37.34 82.58 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.161 0.984 . . . . 0.0 112.816 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.6 mt -59.1 123.94 18.28 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.768 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.474 ' HA3' ' HB2' ' A' ' 39' ' ' LEU . . . -117.69 167.62 12.82 Favored Glycine 0 C--N 1.333 0.4 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.669 -179.099 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.454 ' H ' ' HA ' ' A' ' 38' ' ' PHE . 17.7 m-85 -104.68 150.46 24.7 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.834 0.35 . . . . 0.0 110.98 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -152.37 151.15 26.79 Favored Pre-proline 0 CA--C 1.542 0.636 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.652 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.483 ' O ' HG12 ' A' ' 84' ' ' ILE . 11.2 Cg_exo -71.86 142.23 38.71 Favored 'Trans proline' 0 C--N 1.366 1.464 0 C-N-CA 122.264 1.976 . . . . 0.0 111.784 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 94.6 p -66.3 -22.09 66.28 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.212 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.5 p -67.58 -19.3 65.24 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.518 HG13 HG13 ' A' ' 85' ' ' VAL . 21.6 pt -92.58 -3.68 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 C-N-CA 120.42 -0.512 . . . . 0.0 112.214 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.518 HG13 HG13 ' A' ' 84' ' ' ILE . 33.9 m -126.46 168.19 19.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 120.964 0.411 . . . . 0.0 111.858 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -139.52 117.45 11.72 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.129 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -76.39 129.72 37.0 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.905 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -122.06 -35.04 3.23 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.465 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -143.89 140.78 29.94 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.103 0.252 . . . . 0.0 111.591 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 55.8 m -101.91 125.63 48.63 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.898 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.447 HD12 ' HB2' ' A' ' 21' ' ' PRO . 20.2 mt -87.19 -24.86 24.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.168 -179.101 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.402 ' HD3' ' ND1' ' A' ' 20' ' ' HIS . 0.6 OUTLIER -166.5 136.85 2.63 Favored Pre-proline 0 N--CA 1.469 0.497 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.482 179.06 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -62.79 123.72 12.81 Favored 'Trans proline' 0 C--N 1.366 1.493 0 C-N-CA 122.837 2.358 . . . . 0.0 113.252 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -100.42 89.92 0.87 Allowed Glycine 0 C--N 1.335 0.526 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.89 33.52 2.65 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 49.0 t -120.34 114.8 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.957 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -78.8 115.32 18.41 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.335 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 24.7 t -125.01 126.36 71.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.095 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -76.43 160.52 29.46 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.824 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 62.5 p -101.55 163.62 12.17 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.142 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -109.25 -177.53 3.32 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.527 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -77.69 -22.87 49.83 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.521 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 76.2 m95 -76.99 -14.28 59.86 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.439 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -80.93 -26.64 36.55 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -119.0 43.69 2.51 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.178 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -150.6 115.77 5.36 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.461 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.7 p -123.72 140.11 53.32 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.701 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.304 -0.855 . . . . 0.0 111.008 -179.71 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.68 0.276 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.18 177.13 14.81 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.946 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -78.89 110.52 2.8 Favored 'Trans proline' 0 C--N 1.363 1.326 0 C-N-CA 122.502 2.135 . . . . 0.0 111.867 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.7 ptm -142.74 149.52 50.4 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.327 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -89.12 167.31 5.51 Favored 'Trans proline' 0 C--N 1.362 1.24 0 C-N-CA 122.969 2.446 . . . . 0.0 113.461 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.824 ' HD3' HD11 ' A' ' 53' ' ' LEU . 3.9 mtpt -90.43 -160.65 0.72 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.644 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.591 HD22 ' H ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -92.29 -22.58 19.66 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.479 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.459 ' HB3' HD13 ' A' ' 53' ' ' LEU . . . -115.32 -162.92 0.85 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.204 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -139.86 -20.76 0.89 Allowed 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.478 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 0.7 OUTLIER -128.95 149.24 50.89 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 120.722 0.296 . . . . 0.0 111.139 178.823 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.526 ' HB3' HD23 ' A' ' 53' ' ' LEU . 20.7 pttp -127.82 173.29 10.09 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.583 -179.486 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.3 mt -126.97 119.99 28.01 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.075 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.495 ' HA ' HD11 ' A' ' 22' ' ' ILE . 81.1 m -122.44 174.56 6.96 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.707 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -78.19 -31.16 49.38 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.214 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -145.02 173.85 11.54 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.971 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -64.41 -20.08 65.92 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.893 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -88.44 -22.25 23.8 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.766 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.4 t 57.6 28.58 15.87 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.833 0.825 . . . . 0.0 109.557 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.2 t -93.21 -9.62 38.6 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.969 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -96.18 147.25 32.68 Favored Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.45 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -89.77 120.39 0.92 Allowed 'Trans proline' 0 C--N 1.366 1.495 0 C-N-CA 122.787 2.325 . . . . 0.0 111.516 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.495 HD11 ' HA ' ' A' ' 13' ' ' CYS . 57.2 mt -66.17 -65.4 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.138 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.513 -179.149 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.8 m -138.98 141.37 38.38 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.154 0.502 . . . . 0.0 112.024 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.8 tmm? -90.12 114.64 26.61 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.642 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.61 145.45 42.69 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.2 t -95.37 141.53 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.603 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.72 135.57 34.08 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.27 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -100.35 -18.19 16.9 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -150.71 179.72 7.96 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -87.58 154.17 20.82 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.375 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -151.09 129.09 11.75 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.411 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 65.5 mtt -106.14 127.79 53.45 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 123.408 0.442 . . . . 0.0 110.508 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.97 120.27 61.85 Favored Pre-proline 0 CA--C 1.535 0.376 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -79.72 -64.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.363 1.331 0 C-N-CA 122.577 2.185 . . . . 0.0 111.729 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -91.93 169.9 10.29 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.445 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.8 t -64.73 -13.87 56.41 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.609 ' HD2' ' HG2' ' A' ' 6' ' ' LYS . 54.0 ttp85 -76.72 -30.04 56.48 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 117.894 0.315 . . . . 0.0 111.054 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -94.05 159.5 15.13 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.002 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.2 tp -119.14 139.11 52.35 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.93 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.9 m -88.48 121.18 30.58 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 64.3 mt -127.76 141.1 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.3 -178.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -103.34 154.68 19.12 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.405 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -64.29 122.57 16.97 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.797 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.74 -4.67 63.71 Favored Glycine 0 C--N 1.337 0.584 0 C-N-CA 121.089 -0.577 . . . . 0.0 114.073 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -80.94 152.63 27.95 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 117.468 0.634 . . . . 0.0 111.888 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.6 t -89.52 126.59 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-N 115.234 -0.893 . . . . 0.0 109.742 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.553 HG22 HG23 ' A' ' 65' ' ' VAL . 7.0 t -127.35 129.21 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.677 0.275 . . . . 0.0 110.969 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -95.37 126.47 40.7 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.585 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.3 t -90.23 130.17 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.329 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -111.23 -36.25 5.65 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.766 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 62.0 p -136.13 146.35 46.85 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -130.72 111.45 12.18 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.405 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.824 HD11 ' HD3' ' A' ' 6' ' ' LYS . 58.4 mt -70.9 156.13 39.96 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.449 0.166 . . . . 0.0 111.21 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -137.18 170.29 16.35 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.054 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.42 -98.45 2.09 Favored Glycine 0 C--N 1.336 0.576 0 CA-C-N 115.955 -0.566 . . . . 0.0 113.213 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.3 mmm-85 -73.7 -34.61 64.91 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 122.307 0.243 . . . . 0.0 111.295 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.3 60.24 0.68 Allowed Glycine 0 C--N 1.334 0.45 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.238 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -11.08 60.74 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 66.2 mt -101.76 6.58 41.8 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.091 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -113.04 124.02 51.64 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.192 0.52 . . . . 0.0 111.531 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 45.3 m0 -111.57 -171.81 1.91 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.813 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.505 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -166.49 156.55 28.51 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.413 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 167.21 -153.37 22.87 Favored Glycine 0 C--N 1.338 0.644 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.46 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 86.3 p -126.62 142.4 51.55 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.497 0.189 . . . . 0.0 110.604 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.553 HG23 HG22 ' A' ' 47' ' ' VAL . 7.2 p -92.29 124.36 44.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 121.289 0.566 . . . . 0.0 111.6 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -85.03 133.14 34.25 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.142 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 174.72 -24.44 0.07 OUTLIER Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.62 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -142.03 80.58 1.72 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.226 0.536 . . . . 0.0 110.962 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -100.46 -0.16 38.52 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.724 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -76.96 -27.24 54.73 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.834 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -117.35 -96.83 1.91 Allowed Glycine 0 N--CA 1.452 -0.245 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.962 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -158.87 119.92 3.33 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.62 -34.61 0.11 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.54 -5.37 47.34 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.15 -42.89 79.4 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.593 0.235 . . . . 0.0 110.663 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -82.91 118.67 23.62 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.392 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.4 tp -98.56 133.78 42.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.599 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -135.42 -168.94 11.72 Favored Glycine 0 C--N 1.338 0.686 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.793 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.505 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 65.1 m-85 -131.09 152.46 50.36 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.58 0.229 . . . . 0.0 110.808 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -150.64 151.42 30.56 Favored Pre-proline 0 CA--C 1.542 0.642 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.348 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.402 ' O ' HG12 ' A' ' 84' ' ' ILE . 7.4 Cg_exo -73.45 139.5 28.75 Favored 'Trans proline' 0 C--N 1.369 1.623 0 C-N-CA 122.467 2.111 . . . . 0.0 111.908 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 98.5 p -64.15 -20.07 65.73 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.893 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.3 t -65.42 -20.66 66.47 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.462 HG13 HG13 ' A' ' 85' ' ' VAL . 32.0 pt -96.78 -3.56 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.462 HG13 HG13 ' A' ' 84' ' ' ILE . 20.1 m -124.39 169.56 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 121.083 0.468 . . . . 0.0 111.928 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -142.96 115.24 8.44 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.018 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -62.77 134.38 56.18 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.936 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -117.82 -46.02 2.66 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.063 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.72 135.02 19.41 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.1 m -88.87 120.98 30.77 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.8 mt -86.07 -30.98 22.19 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.402 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -154.98 127.31 3.96 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.565 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -53.24 128.16 28.03 Favored 'Trans proline' 0 C--N 1.37 1.691 0 C-N-CA 122.806 2.337 . . . . 0.0 113.877 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -103.98 91.49 0.82 Allowed Glycine 0 C--N 1.335 0.488 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -132.85 28.67 4.19 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 41.3 t -117.03 133.68 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.29 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -101.29 120.03 39.64 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.904 0.383 . . . . 0.0 111.298 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.447 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 15.4 t -128.0 127.83 68.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.546 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.478 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -79.63 167.29 20.89 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.596 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.2 p -108.29 130.54 55.18 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.716 0.293 . . . . 0.0 111.218 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -102.29 -112.41 0.21 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.848 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.84 -3.26 4.66 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.415 0.552 . . . . 0.0 111.756 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -92.98 -9.66 39.11 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.675 0.274 . . . . 0.0 110.814 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -79.69 -28.2 40.67 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.281 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -143.48 83.88 1.79 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.326 0.584 . . . . 0.0 111.866 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -150.86 94.59 2.09 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.549 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 78.3 m -105.13 52.89 0.73 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.179 -178.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.358 -0.829 . . . . 0.0 110.371 179.545 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.684 0.278 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 125.53 172.37 13.41 Favored Glycine 0 C--N 1.334 0.469 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.53 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -83.43 107.18 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 C-N-CA 122.574 2.182 . . . . 0.0 112.551 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.87 176.29 1.58 Allowed Pre-proline 0 CA--C 1.553 1.082 0 CA-C-O 118.249 -0.882 . . . . 0.0 108.856 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -49.25 147.46 11.65 Favored 'Trans proline' 0 C--N 1.382 2.308 0 C-N-CA 122.349 2.033 . . . . 0.0 113.342 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.495 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 4.6 mptt -63.75 -38.54 91.49 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.104 -179.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 6' ' ' LYS . 1.1 pp 56.39 5.31 0.18 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.879 1.272 . . . . 0.0 113.554 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -163.73 174.13 12.01 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 122.471 0.309 . . . . 0.0 110.964 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -139.44 -53.04 0.55 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.145 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.458 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 1.4 mpp_? -127.69 151.14 49.34 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.473 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.468 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 56.8 pttt -119.78 165.53 14.44 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.008 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.0 mt -114.47 113.48 24.53 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.556 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.597 ' HA ' HD11 ' A' ' 22' ' ' ILE . 59.0 m -118.03 174.45 6.2 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.786 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.453 ' HB1' ' HG2' ' A' ' 92' ' ' LYS . . . -83.44 -30.56 27.18 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.326 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -140.88 174.79 10.18 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.016 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -67.5 -19.24 65.29 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.979 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -88.59 -20.52 24.88 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.574 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.1 t 56.04 30.74 16.76 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.904 0.859 . . . . 0.0 109.918 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.0 t -96.11 -4.18 43.25 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.948 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -106.28 147.53 35.04 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.736 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -90.82 130.13 1.45 Allowed 'Trans proline' 0 C--N 1.365 1.428 0 C-N-CA 122.991 2.461 . . . . 0.0 111.858 179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.597 HD11 ' HA ' ' A' ' 13' ' ' CYS . 5.2 mp -73.29 -62.89 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.117 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.343 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.2 m -132.62 144.01 50.07 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 25.5 ttp -93.62 109.73 21.35 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 87' ' ' GLU . . . -108.67 144.4 36.48 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.063 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.4 t -98.61 137.53 25.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.739 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.3 127.71 33.06 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 123.236 0.335 . . . . 0.0 111.452 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.0 mt -93.84 -17.54 22.97 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.414 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -153.55 -175.54 5.41 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.58 153.74 17.68 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.634 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -151.35 146.85 26.28 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.111 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.4 ' HA ' HG23 ' A' ' 40' ' ' THR . 26.4 mmt -117.79 142.61 47.1 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.39 106.63 14.36 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -78.98 -47.11 0.1 OUTLIER 'Trans proline' 0 C--N 1.367 1.506 0 C-N-CA 122.811 2.341 . . . . 0.0 112.166 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -89.16 161.86 16.25 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.568 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 36.7 t -63.72 -31.84 73.14 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.258 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.418 ' NH1' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -88.22 -0.09 56.71 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -89.3 169.16 11.66 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.622 0.249 . . . . 0.0 111.299 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.699 HD21 HG23 ' A' ' 65' ' ' VAL . 52.9 tp -128.71 137.6 51.69 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.82 -178.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.4 HG23 ' HA ' ' A' ' 32' ' ' MET . 42.5 m -91.09 127.98 36.73 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.69 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.8 mt -126.97 150.54 32.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.86 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -117.62 150.24 39.35 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -62.01 117.77 6.4 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.684 0.278 . . . . 0.0 111.52 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.58 -2.82 36.62 Favored Glycine 0 C--N 1.338 0.668 0 C-N-CA 120.927 -0.654 . . . . 0.0 114.1 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -83.08 144.53 29.83 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 117.663 0.732 . . . . 0.0 111.712 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.3 t -83.64 124.04 39.31 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.409 HG22 HG22 ' A' ' 65' ' ' VAL . 6.1 t -125.01 118.19 52.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 120.956 0.407 . . . . 0.0 111.345 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -86.03 123.49 31.4 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.936 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 36.9 t -87.49 122.16 38.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.395 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -103.52 -22.21 13.65 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.468 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 69.4 p -154.93 141.87 19.18 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -119.76 112.58 19.44 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.083 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.5 mt -68.3 151.84 46.32 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -120.07 179.78 4.17 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.826 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.47 -121.56 5.55 Favored Glycine 0 C--N 1.339 0.728 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.504 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -76.91 -19.02 57.91 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.696 0.284 . . . . 0.0 110.93 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -105.12 47.25 1.08 Allowed Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.947 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -66.27 -26.97 67.59 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 122.707 0.403 . . . . 0.0 111.166 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.529 ' H ' HD23 ' A' ' 59' ' ' LEU . 1.2 pt? -103.6 18.79 21.1 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.063 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -115.05 117.88 31.82 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.127 0.489 . . . . 0.0 111.194 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 33.0 m0 -110.56 178.65 4.3 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.413 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -159.83 147.94 15.8 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.331 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 175.82 -153.98 16.22 Favored Glycine 0 C--N 1.335 0.505 0 C-N-CA 121.334 -0.46 . . . . 0.0 112.52 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 87.7 p -132.34 153.5 50.68 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.396 0.141 . . . . 0.0 110.668 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.699 HG23 HD21 ' A' ' 39' ' ' LEU . 91.7 t -94.76 122.39 46.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 111.59 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -106.16 76.73 1.18 Allowed 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.07 177.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -132.9 68.84 0.54 Allowed Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.913 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 62.95 74.76 0.42 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.282 0.633 . . . . 0.0 111.732 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -120.47 102.18 8.27 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.392 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -102.68 -5.18 24.07 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.698 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.7 -117.77 3.69 Favored Glycine 0 C--N 1.336 0.536 0 C-N-CA 121.087 -0.577 . . . . 0.0 112.364 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -153.04 100.89 2.53 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.715 0.293 . . . . 0.0 110.326 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -150.73 -50.17 0.13 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.33 75.03 10.0 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.001 0.429 . . . . 0.0 110.979 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.68 -30.94 0.11 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.487 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.94 -9.75 58.46 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.888 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.9 mt 63.9 139.91 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.244 1.017 . . . . 0.0 113.473 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.496 ' HA3' ' HB2' ' A' ' 39' ' ' LEU . . . -132.64 173.38 20.9 Favored Glycine 0 C--N 1.335 0.503 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.892 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -121.7 142.35 50.25 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.86 0.362 . . . . 0.0 110.997 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -146.85 154.93 47.95 Favored Pre-proline 0 CA--C 1.542 0.671 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.16 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.401 ' O ' HG12 ' A' ' 84' ' ' ILE . 4.8 Cg_exo -74.61 138.05 23.52 Favored 'Trans proline' 0 C--N 1.367 1.521 0 C-N-CA 122.23 1.953 . . . . 0.0 111.473 179.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 90.2 p -63.87 -18.15 63.88 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.859 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.4 t -65.35 -23.33 66.96 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.458 HG13 HG13 ' A' ' 85' ' ' VAL . 25.2 pt -92.39 -6.11 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.458 HG13 HG13 ' A' ' 84' ' ' ILE . 21.4 m -127.28 163.59 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -145.51 112.36 5.97 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.321 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 25' ' ' ALA . 1.0 OUTLIER -82.85 136.56 34.59 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.744 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -127.23 -21.08 3.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.432 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -133.81 116.25 15.47 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.705 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.4 m -84.31 126.66 33.4 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.223 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.6 mt -88.2 -41.01 13.25 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.075 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.453 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 1.7 tpmt? -150.76 132.79 8.0 Favored Pre-proline 0 CA--C 1.543 0.693 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.255 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.416 ' HD2' ' HG3' ' A' ' 92' ' ' LYS . 84.3 Cg_exo -48.73 126.72 15.11 Favored 'Trans proline' 0 C--N 1.374 1.888 0 C-N-CA 123.172 2.581 . . . . 0.0 113.927 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -105.43 78.14 0.26 Allowed Glycine 0 C--N 1.333 0.374 0 N-CA-C 111.251 -0.739 . . . . 0.0 111.251 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -121.31 22.88 10.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.4 t -113.7 136.66 49.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -112.93 120.22 40.65 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.799 0.333 . . . . 0.0 110.878 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.1 t -124.27 134.16 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.057 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.458 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 95.4 mttt -73.9 154.23 39.49 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.71 -0.223 . . . . 0.0 110.638 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 64.8 p -103.23 140.65 37.09 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 52.8 p30 -98.11 -170.38 1.96 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? -79.34 -8.6 59.2 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -95.24 23.84 5.48 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.789 0.328 . . . . 0.0 111.424 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -113.14 -21.62 10.93 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.354 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.411 ' HD2' HH21 ' A' ' 37' ' ' ARG . 0.4 OUTLIER -148.61 58.92 1.07 Allowed 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.214 0.531 . . . . 0.0 111.932 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -150.15 114.49 5.18 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.574 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 93.4 m -119.18 146.37 45.24 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.741 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.273 -0.87 . . . . 0.0 111.06 -179.906 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.825 0.345 . . . . 0.0 111.346 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.06 170.43 31.92 Favored Glycine 0 C--N 1.334 0.472 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.965 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -82.78 166.11 15.31 Favored 'Trans proline' 0 C--N 1.361 1.199 0 C-N-CA 122.727 2.285 . . . . 0.0 112.258 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.613 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 1.6 pmm? -153.63 173.11 4.94 Favored Pre-proline 0 CA--C 1.546 0.821 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.317 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.613 ' HD2' ' HB2' ' A' ' 4' ' ' MET . 41.6 Cg_endo -65.72 137.23 48.95 Favored 'Trans proline' 0 C--N 1.37 1.668 0 C-N-CA 122.188 1.925 . . . . 0.0 111.64 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -66.89 129.1 38.77 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.374 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.8 mt -78.42 -29.54 47.18 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.48 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -150.17 -175.43 5.06 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.994 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -121.4 -52.17 2.05 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.07 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -123.43 161.06 25.54 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.172 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.733 ' HB3' HD23 ' A' ' 53' ' ' LEU . 38.7 pttt -141.26 177.88 7.79 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.927 -178.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.412 HD21 ' HD2' ' A' ' 54' ' ' LYS . 3.9 mm? -108.32 134.02 51.72 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.743 178.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.433 ' HA ' HD11 ' A' ' 22' ' ' ILE . 94.9 m -138.67 165.73 26.18 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 123.604 0.565 . . . . 0.0 110.438 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.431 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -79.79 -30.88 40.73 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.058 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -141.94 172.2 13.01 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.261 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -67.19 -15.37 63.66 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.392 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -89.21 -20.26 24.4 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.819 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.9 m 56.81 28.15 13.97 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 123.654 0.596 . . . . 0.0 110.199 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.1 t -96.48 -5.49 39.41 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.572 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -98.3 152.05 37.79 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.66 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.44 ' HB2' HD12 ' A' ' 91' ' ' LEU . 38.5 Cg_endo -91.65 117.64 0.48 Allowed 'Trans proline' 0 C--N 1.368 1.576 0 C-N-CA 122.755 2.303 . . . . 0.0 112.067 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.433 HD11 ' HA ' ' A' ' 13' ' ' CYS . 36.9 mt -71.01 -62.55 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 -179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.1 p -135.65 137.15 41.57 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.8 tmm? -89.59 116.02 27.42 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.05 146.33 42.27 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.142 0.496 . . . . 0.0 112.328 -178.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.7 t -99.36 137.06 27.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.206 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.34 131.88 37.19 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.225 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.0 mt -98.76 -15.32 19.36 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.63 -0.713 . . . . 0.0 112.579 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -153.37 179.71 8.52 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -89.08 151.78 22.03 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.457 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -151.57 130.39 12.44 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.823 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -105.08 133.57 49.64 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.09 112.33 44.77 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -78.66 -52.4 0.06 OUTLIER 'Trans proline' 0 C--N 1.365 1.413 0 C-N-CA 122.473 2.115 . . . . 0.0 111.774 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -90.92 162.68 14.66 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.664 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.8 t -62.7 -31.93 72.93 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.323 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -77.49 -13.48 59.91 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -91.04 157.55 17.19 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.614 0.245 . . . . 0.0 111.369 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.4 mt -113.56 143.97 43.65 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.33 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 37.5 m -94.49 112.08 23.85 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.1 mt -113.8 146.68 18.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.938 -177.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -110.96 151.84 27.48 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.009 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -64.32 120.29 11.92 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.533 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.34 -7.69 51.59 Favored Glycine 0 C--N 1.338 0.664 0 C-N-CA 120.992 -0.623 . . . . 0.0 113.994 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -79.26 151.66 31.01 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 117.426 0.613 . . . . 0.0 111.76 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.6 t -91.01 109.79 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.07 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.484 ' HA ' ' HA ' ' A' ' 65' ' ' VAL . 16.5 t -109.63 126.87 66.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 120.6 0.238 . . . . 0.0 110.583 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -93.96 128.79 40.48 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.066 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.3 t -89.01 127.94 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.729 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -107.82 -22.36 12.49 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.629 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.0 p -154.23 157.2 38.4 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -130.91 107.46 9.13 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.733 HD23 ' HB3' ' A' ' 11' ' ' LYS . 48.2 mt -67.36 157.48 33.93 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -178.313 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.412 ' HD2' HD21 ' A' ' 12' ' ' LEU . 29.5 mtpp -123.4 -178.51 4.02 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.804 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.29 -138.26 18.2 Favored Glycine 0 C--N 1.34 0.772 0 CA-C-N 116.059 -0.519 . . . . 0.0 113.282 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 -69.49 -26.36 64.51 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 122.59 0.356 . . . . 0.0 111.591 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -110.68 39.57 2.85 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 121.25 -0.5 . . . . 0.0 112.113 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.1 ptt-85 -69.41 -16.55 63.52 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.9 mt -84.72 9.44 13.96 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.598 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -112.24 120.97 43.58 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.132 0.491 . . . . 0.0 111.063 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 22.4 m0 -108.02 119.89 40.75 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.878 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.56 161.48 42.64 Favored Glycine 0 C--N 1.333 0.414 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.098 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 148.67 -159.34 28.0 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.86 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.9 m -154.84 153.79 31.71 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.909 0.385 . . . . 0.0 111.171 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.484 ' HA ' ' HA ' ' A' ' 47' ' ' VAL . 9.0 p -70.04 162.95 3.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.97 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -31.09 135.3 0.06 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.506 1.123 . . . . 0.0 113.187 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -78.86 69.9 2.81 Favored Glycine 0 C--N 1.338 0.67 0 CA-C-N 115.566 -0.743 . . . . 0.0 113.587 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -97.57 -15.94 20.28 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 55.62 75.91 0.3 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.368 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -94.18 -16.46 23.67 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.611 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 177.57 -72.63 0.07 OUTLIER Glycine 0 C--N 1.333 0.387 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.431 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -148.29 35.29 0.81 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.033 0.444 . . . . 0.0 111.136 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.4 mt -79.51 -73.09 0.36 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.571 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.96 62.61 1.87 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.129 0.49 . . . . 0.0 110.937 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -146.46 -43.24 0.19 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.624 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -92.9 -18.26 23.01 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.952 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.8 tp 65.94 143.59 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 O-C-N 124.387 1.054 . . . . 0.0 111.468 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -149.49 -156.61 7.28 Favored Glycine 0 C--N 1.344 0.981 0 C-N-CA 120.174 -1.012 . . . . 0.0 113.797 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -136.35 155.89 49.41 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 122.625 0.37 . . . . 0.0 110.81 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -154.51 148.23 18.74 Favored Pre-proline 0 CA--C 1.541 0.605 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.913 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.423 ' O ' HG12 ' A' ' 84' ' ' ILE . 12.5 Cg_exo -70.64 135.2 27.79 Favored 'Trans proline' 0 C--N 1.365 1.401 0 C-N-CA 122.182 1.921 . . . . 0.0 111.734 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 93.1 p -65.07 -21.21 66.79 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.447 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.2 m -66.16 -22.01 66.35 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.434 HG13 HG13 ' A' ' 85' ' ' VAL . 30.1 pt -95.4 -5.21 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.434 HG13 HG13 ' A' ' 84' ' ' ILE . 24.4 m -122.41 163.55 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 111.539 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -137.63 114.61 10.72 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.218 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -69.71 130.13 41.5 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.062 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -127.11 -34.3 2.34 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.548 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.78 127.66 18.3 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.094 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 55.9 m -89.0 124.83 34.64 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.44 HD12 ' HB2' ' A' ' 21' ' ' PRO . 40.4 mt -87.29 -39.62 15.22 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.485 -178.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -152.81 125.06 3.88 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.58 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -49.37 130.13 24.39 Favored 'Trans proline' 0 C--N 1.37 1.665 0 C-N-CA 123.173 2.582 . . . . 0.0 114.306 -178.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.431 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -109.39 86.33 0.44 Allowed Glycine 0 C--N 1.334 0.447 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -126.24 30.81 5.53 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.6 t -122.74 109.66 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.87 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -75.03 120.38 20.48 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.65 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.7 131.47 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.867 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -78.51 164.02 25.07 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.675 -0.238 . . . . 0.0 110.993 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 66.9 p -97.86 152.14 19.5 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.778 0.323 . . . . 0.0 111.331 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -113.0 -170.65 1.71 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.232 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.87 2.57 41.98 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -106.78 18.04 22.39 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.763 0.316 . . . . 0.0 110.649 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -102.66 -34.64 8.99 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.916 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -144.44 61.25 1.34 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.39 0.614 . . . . 0.0 111.221 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -150.77 95.02 2.16 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.533 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 66.8 m -98.42 91.53 5.24 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.518 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.623 -179.819 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.433 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 66.0 mtt . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.972 0.415 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -156.98 171.51 34.44 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 120.942 -0.647 . . . . 0.0 113.019 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -81.84 118.21 3.06 Favored 'Trans proline' 0 C--N 1.363 1.327 0 C-N-CA 122.792 2.328 . . . . 0.0 111.832 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.552 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 31.0 mtm -127.61 167.89 16.81 Favored Pre-proline 0 CA--C 1.543 0.678 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.288 -178.139 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.552 ' HD2' ' HB3' ' A' ' 4' ' ' MET . 73.5 Cg_endo -73.58 -176.16 2.4 Favored 'Trans proline' 0 C--N 1.376 1.994 0 C-N-CA 122.275 1.983 . . . . 0.0 112.337 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -90.13 131.23 36.09 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.8 mt -90.26 -29.78 17.94 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.515 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.26 -174.6 4.63 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.35 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -127.52 -46.71 1.45 Allowed 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.408 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 9.3 mpt_? -129.19 155.03 46.18 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.803 0.335 . . . . 0.0 110.933 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.5 pttt -138.3 167.36 22.03 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.083 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -101.59 127.94 48.08 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 70.9 m -130.59 171.28 13.22 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.776 0.672 . . . . 0.0 110.707 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.473 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -78.21 -29.98 48.62 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.542 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -153.1 178.48 9.67 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.093 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -62.24 -22.4 65.94 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.279 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -88.68 -22.01 23.63 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.813 -0.176 . . . . 0.0 111.246 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.0 t 54.58 32.71 17.56 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.743 0.782 . . . . 0.0 109.859 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.0 t -100.64 2.8 41.97 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.275 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -106.37 152.22 40.5 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.61 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.472 ' HB2' HD12 ' A' ' 91' ' ' LEU . 40.7 Cg_endo -91.3 122.82 0.76 Allowed 'Trans proline' 0 C--N 1.368 1.562 0 C-N-CA 122.809 2.339 . . . . 0.0 112.067 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.506 HD13 ' HZ2' ' A' ' 52' ' ' LYS . 36.7 mt -71.21 -65.32 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.549 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.1 t -134.55 140.18 45.95 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.051 0.453 . . . . 0.0 112.158 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.3 ttp -89.79 114.94 26.74 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.127 -0.942 . . . . 0.0 108.936 178.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.72 141.5 48.32 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.6 t -97.76 136.14 29.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.129 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.07 134.85 46.06 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.982 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.6 mt -97.62 -21.47 17.03 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.47 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -149.81 -179.45 7.14 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -87.2 150.69 23.75 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.485 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -151.85 137.15 17.55 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.653 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -112.77 139.15 48.63 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.28 107.81 37.8 Favored Pre-proline 0 CA--C 1.537 0.462 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -85.68 -42.04 0.06 OUTLIER 'Trans proline' 0 C--N 1.362 1.24 0 C-N-CA 122.385 2.056 . . . . 0.0 112.946 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -91.3 163.32 14.27 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.103 0.561 . . . . 0.0 111.486 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.2 t -60.68 -46.55 89.94 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.425 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -74.59 1.4 12.19 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -101.45 148.64 24.94 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 117.993 0.36 . . . . 0.0 110.968 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.38 142.73 46.3 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.018 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 66.7 m -88.77 125.12 34.74 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 75.7 mt -128.22 138.71 53.89 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.541 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -104.32 156.81 17.6 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.806 178.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.9 ttp85 -63.32 115.65 4.76 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.549 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.89 3.15 49.16 Favored Glycine 0 C--N 1.34 0.756 0 CA-C-O 119.473 -0.626 . . . . 0.0 114.363 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -78.86 140.46 38.15 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 117.903 0.851 . . . . 0.0 111.689 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.7 t -83.1 100.9 7.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.0 t -105.15 124.99 60.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 111.485 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -91.47 124.76 35.89 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.276 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.8 t -87.47 134.12 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -113.53 -28.08 7.65 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 57.1 p -153.47 158.44 41.36 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.506 ' HZ2' HD13 ' A' ' 22' ' ' ILE . 18.1 mttp -127.91 113.03 15.36 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.063 178.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.6 mt -69.22 151.97 45.65 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -113.79 -177.54 3.16 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.923 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.59 -132.96 11.68 Favored Glycine 0 C--N 1.34 0.772 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.586 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -72.66 -20.82 61.19 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.639 0.256 . . . . 0.0 110.814 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -105.47 46.91 1.11 Allowed Glycine 0 C--N 1.335 0.522 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.971 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -68.53 -26.69 65.56 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 122.499 0.32 . . . . 0.0 110.665 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 mp -89.58 -5.53 57.11 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.787 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -95.01 121.85 37.05 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.246 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 30.4 m0 -109.94 -172.9 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.29 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.466 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -160.57 158.1 29.56 Favored Glycine 0 C--N 1.336 0.528 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.371 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 166.6 -159.33 32.63 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 121.415 -0.421 . . . . 0.0 112.221 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 97.7 p -130.43 144.31 51.32 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.562 0.22 . . . . 0.0 110.692 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.5 p -89.17 133.0 32.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 CA-C-O 121.16 0.505 . . . . 0.0 111.333 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -104.34 -14.02 15.92 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.942 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -54.8 -42.09 77.68 Favored Glycine 0 C--N 1.339 0.729 0 CA-C-N 116.186 -0.461 . . . . 0.0 113.576 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -127.65 133.73 49.64 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.697 0.284 . . . . 0.0 111.331 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -151.49 104.86 3.11 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.993 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -108.93 -9.04 15.15 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.298 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 137.42 112.6 1.14 Allowed Glycine 0 C--N 1.333 0.416 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.335 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.8 t70 56.35 80.23 0.15 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.449 0.7 . . . . 0.0 111.17 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -139.63 -50.98 0.51 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.847 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.34 59.77 2.61 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.94 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -139.25 -22.96 0.91 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.427 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -106.34 3.88 27.99 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.685 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.0 mt 58.75 178.42 0.07 Allowed 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -174.56 130.32 1.76 Allowed Glycine 0 C--N 1.336 0.531 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.579 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.466 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 72.3 m-85 -85.53 148.1 26.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.993 0.425 . . . . 0.0 111.379 -178.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -151.6 155.74 34.28 Favored Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.887 -178.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -74.68 134.86 18.93 Favored 'Trans proline' 0 C--N 1.367 1.535 0 C-N-CA 122.201 1.934 . . . . 0.0 111.671 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 90.5 p -64.93 -17.52 64.43 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.864 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.9 t -66.31 -19.71 65.89 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 25.7 pt -97.25 -1.98 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.7 m -117.88 163.22 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-O 121.121 0.486 . . . . 0.0 112.162 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 64.4 ttt-85 -131.04 108.66 9.94 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.766 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -74.99 125.81 29.7 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.282 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -120.47 -34.08 3.71 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -146.45 138.53 24.92 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.173 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.1 m -94.23 122.15 36.47 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.472 HD12 ' HB2' ' A' ' 21' ' ' PRO . 13.7 mt -84.87 -30.52 24.38 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.341 -178.301 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -161.38 125.98 2.08 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.583 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -51.21 144.17 30.69 Favored 'Trans proline' 0 C--N 1.374 1.889 0 C-N-CA 122.808 2.339 . . . . 0.0 114.023 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -122.42 83.83 0.36 Allowed Glycine 0 C--N 1.337 0.614 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.72 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.22 15.05 14.02 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.783 0.325 . . . . 0.0 110.807 -178.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.8 t -114.8 101.57 12.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.212 -178.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -76.07 125.84 29.88 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.595 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 23.1 t -125.0 132.31 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.977 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.408 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -73.54 169.12 17.9 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.955 179.881 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 72.9 p -98.78 154.82 17.71 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.416 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -109.9 -170.84 1.72 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.802 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.407 ' HB2' ' NZ ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -79.29 -21.41 46.04 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.38 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -81.24 -3.19 51.59 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.088 0.242 . . . . 0.0 111.652 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.69 -14.55 37.07 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.292 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -115.37 -34.97 4.77 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.302 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -89.52 118.43 29.16 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.549 -178.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.433 ' SG ' ' HA ' ' A' ' 1' ' ' MET . 5.7 p -131.23 147.67 52.62 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.99 179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.751 179.838 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 121.102 0.477 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.06 172.29 17.15 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.476 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.12 135.07 18.38 Favored 'Trans proline' 0 C--N 1.363 1.3 0 C-N-CA 122.548 2.166 . . . . 0.0 111.95 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.5 ppp? -149.54 163.23 25.84 Favored Pre-proline 0 CA--C 1.548 0.887 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.09 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -51.51 159.95 2.87 Favored 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 123.362 2.708 . . . . 0.0 114.191 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -75.83 153.92 36.52 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.616 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.639 HD11 HH21 ' A' ' 37' ' ' ARG . 68.7 mt -115.92 -35.59 4.4 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.647 178.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.79 -173.43 4.1 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.598 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -131.6 -44.28 1.0 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.487 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.8 mtt85 -129.8 158.17 40.18 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.078 0.466 . . . . 0.0 111.423 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.581 ' HB3' HD23 ' A' ' 53' ' ' LEU . 41.9 pttt -132.29 174.96 9.69 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.029 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.7 mt -119.9 120.71 37.21 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.57 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 62.9 m -122.17 -179.83 4.3 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.576 0.547 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.45 ' HB1' ' HG2' ' A' ' 92' ' ' LYS . . . -80.25 -27.83 38.59 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.558 179.164 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -149.27 173.83 13.06 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.466 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -65.91 -13.19 59.25 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -89.83 -21.4 22.6 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.2 m 57.15 31.32 19.8 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 121.637 0.732 . . . . 0.0 109.767 -177.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.9 t -100.44 -10.82 20.74 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.863 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -98.17 149.67 35.97 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.893 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -91.35 120.16 0.61 Allowed 'Trans proline' 0 C--N 1.368 1.555 0 C-N-CA 122.891 2.394 . . . . 0.0 111.625 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.5 mt -64.94 -64.96 0.61 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.159 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.546 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 61.2 p -138.04 141.43 40.36 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.482 ' HB2' HD11 ' A' ' 91' ' ' LEU . 15.2 tmm? -89.76 122.45 32.85 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.184 -0.916 . . . . 0.0 108.835 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.419 ' HB2' ' HG3' ' A' ' 87' ' ' GLU . . . -123.27 155.0 38.06 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.2 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.3 t -103.98 134.43 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.285 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.86 133.87 36.28 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.515 HD21 ' HB2' ' A' ' 86' ' ' ARG . 3.4 mm? -93.41 -21.54 19.46 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -179.082 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -152.93 -178.71 7.08 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.12 155.35 19.11 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.542 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -151.07 140.28 21.25 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.857 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.5 mmt -110.75 137.15 48.78 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.174 0.297 . . . . 0.0 110.455 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.26 111.5 34.22 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.92 -59.09 0.03 OUTLIER 'Trans proline' 0 C--N 1.364 1.385 0 C-N-CA 122.56 2.173 . . . . 0.0 112.123 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -91.43 170.62 9.81 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.022 0.439 . . . . 0.0 112.046 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.6 p -62.08 -25.83 67.93 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.639 HH21 HD11 ' A' ' 7' ' ' LEU . 15.8 mtm-85 -90.76 3.21 54.97 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -177.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -105.5 163.93 12.27 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.717 0.69 . . . . 0.0 112.737 -178.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.3 mt -115.03 151.58 33.97 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.59 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.3 m -103.96 109.58 21.39 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 57.8 mt -111.44 151.81 13.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.12 -177.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -115.98 152.53 33.31 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.885 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -63.06 124.55 21.43 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.648 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.69 -11.08 62.83 Favored Glycine 0 C--N 1.338 0.678 0 C-N-CA 120.942 -0.647 . . . . 0.0 114.013 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -74.22 154.17 39.13 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.428 0.614 . . . . 0.0 111.665 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 t -92.09 115.78 31.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.883 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.408 HG22 HG23 ' A' ' 65' ' ' VAL . 14.9 t -113.4 124.16 69.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-O 120.641 0.258 . . . . 0.0 110.843 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -95.29 126.62 40.72 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.883 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.5 t -87.79 129.95 38.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.86 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.419 ' HB2' ' HA2' ' A' ' 63' ' ' GLY . 19.1 m-85 -111.24 -28.59 8.19 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.31 0.381 . . . . 0.0 111.789 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.4 p -148.66 163.75 36.37 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -133.32 109.72 9.56 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.581 HD23 ' HB3' ' A' ' 11' ' ' LYS . 47.3 mt -67.76 152.67 45.21 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.517 0.199 . . . . 0.0 111.361 -178.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -122.79 178.52 4.99 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.05 -133.54 11.58 Favored Glycine 0 C--N 1.337 0.603 0 C-N-CA 121.182 -0.532 . . . . 0.0 112.741 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -35.56 62.91 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.618 0.247 . . . . 0.0 110.917 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -105.37 48.18 1.0 Allowed Glycine 0 C--N 1.335 0.505 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.936 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.2 ptt-85 -71.5 -8.41 53.76 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.622 ' H ' HD23 ' A' ' 59' ' ' LEU . 1.2 pt? -88.18 0.45 56.04 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.619 0.247 . . . . 0.0 110.795 179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -102.69 122.28 44.13 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.645 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 36.2 m0 -111.07 134.48 52.64 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -91.74 166.53 30.25 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.403 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.419 ' HA2' ' HB2' ' A' ' 50' ' ' PHE . . . 152.31 -167.74 31.36 Favored Glycine 0 C--N 1.333 0.377 0 N-CA-C 111.975 -0.45 . . . . 0.0 111.975 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.7 p -126.43 156.59 40.37 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.594 0.235 . . . . 0.0 111.039 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.408 HG23 HG22 ' A' ' 47' ' ' VAL . 5.1 p -104.43 128.67 57.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.106 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -99.93 143.5 30.07 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.679 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.88 -42.12 0.18 Allowed Glycine 0 C--N 1.332 0.357 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -131.31 70.89 1.46 Allowed 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -71.99 89.29 1.1 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.768 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -121.9 -9.54 8.77 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.332 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.43 61.37 1.47 Allowed Glycine 0 C--N 1.337 0.587 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.613 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -152.69 -43.31 0.1 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 111.461 0.171 . . . . 0.0 111.461 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.517 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.6 pt? -89.33 -26.36 21.14 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.718 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -101.04 30.73 3.94 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.976 0.417 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -96.19 -41.66 8.58 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.179 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.0 ppt_? -121.74 1.85 10.0 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.869 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 40.56 -157.63 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.953 1.301 . . . . 0.0 113.714 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -172.22 -159.33 18.41 Favored Glycine 0 C--N 1.345 1.028 0 C-N-CA 121.058 -0.591 . . . . 0.0 112.561 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -122.44 157.1 32.68 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 122.436 0.294 . . . . 0.0 110.619 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -155.95 151.51 21.9 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.931 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -72.39 132.24 18.88 Favored 'Trans proline' 0 C--N 1.367 1.547 0 C-N-CA 122.255 1.97 . . . . 0.0 111.614 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 92.1 p -63.78 -23.19 67.26 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.404 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.2 p -65.88 -23.16 66.59 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.5 pt -95.35 -1.33 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.8 m -120.64 140.81 43.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 121.043 0.449 . . . . 0.0 111.987 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.515 ' HB2' HD21 ' A' ' 28' ' ' LEU . 79.3 ttt180 -112.22 112.39 23.96 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.011 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.419 ' HG3' ' HB2' ' A' ' 25' ' ' ALA . 37.2 mp0 -88.64 116.73 27.1 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.822 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -115.09 -27.98 7.14 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.562 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.25 140.46 45.24 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.2 m -106.72 124.55 49.78 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.442 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 24' ' ' MET . 9.5 mt -86.48 -32.51 20.75 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.45 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -154.74 132.85 6.72 Favored Pre-proline 0 CA--C 1.542 0.659 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.075 -179.545 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 92' ' ' LYS . 50.6 Cg_exo -61.27 128.88 26.37 Favored 'Trans proline' 0 C--N 1.365 1.419 0 C-N-CA 123.012 2.474 . . . . 0.0 113.707 -179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.444 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -101.7 89.92 0.8 Allowed Glycine 0 C--N 1.335 0.497 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -129.9 28.95 5.03 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 44.5 t -121.27 143.79 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.896 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -111.0 119.02 37.67 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.669 0.271 . . . . 0.0 111.5 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 12.6 t -127.47 135.14 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.11 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -81.07 160.82 24.4 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.569 0.223 . . . . 0.0 111.257 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 81.7 p -94.39 161.99 14.01 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.044 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -98.74 -179.61 4.35 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.726 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.29 -21.09 36.31 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.362 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -80.21 -10.86 59.77 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.988 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -79.93 -14.51 58.55 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.05 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -116.71 -36.06 4.01 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.971 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -89.58 112.09 23.2 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.274 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 2.0 p -124.54 74.06 1.3 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.783 0.801 . . . . 0.0 111.3 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 . . . . . 0 C--O 1.248 1.015 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.417 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.4 mtm . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.583 0.23 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.418 ' HA2' ' HG3' ' A' ' 108' ' ' GLN . . . 140.5 170.67 12.15 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 120.999 -0.62 . . . . 0.0 113.35 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -84.54 136.88 6.58 Favored 'Trans proline' 0 C--N 1.363 1.299 0 C-N-CA 122.875 2.383 . . . . 0.0 112.557 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -151.96 159.63 32.73 Favored Pre-proline 0 CA--C 1.543 0.691 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.655 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -47.42 142.38 12.97 Favored 'Trans proline' 0 C--N 1.377 2.062 0 C-N-CA 123.082 2.521 . . . . 0.0 113.922 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -83.44 166.92 17.95 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.428 -179.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 47.3 mt -93.99 -40.95 9.83 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.39 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.28 -171.53 3.86 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.949 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -119.33 -32.37 4.39 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.597 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.615 ' HG2' ' HG3' ' A' ' 99' ' ' LYS . 98.9 mtt180 -129.21 157.98 40.31 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.972 0.415 . . . . 0.0 111.259 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.668 ' HB3' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -146.45 152.17 38.6 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.593 -179.615 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -91.66 144.86 25.09 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.489 ' HA ' HD11 ' A' ' 22' ' ' ILE . 75.5 m -141.25 166.29 25.17 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.987 0.804 . . . . 0.0 110.228 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.82 -35.21 60.07 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.871 0.367 . . . . 0.0 110.227 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.8 p-10 -131.05 169.44 15.85 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.428 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -69.16 -13.95 62.71 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.938 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -90.58 -15.87 29.79 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.602 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 75.5 m 57.55 28.15 15.16 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.469 0.652 . . . . 0.0 110.349 -178.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.2 t -102.84 6.59 39.29 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.75 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -112.63 150.02 42.06 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.1 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -90.23 116.81 0.62 Allowed 'Trans proline' 0 C--N 1.367 1.537 0 C-N-CA 122.884 2.39 . . . . 0.0 111.996 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.489 HD11 ' HA ' ' A' ' 13' ' ' CYS . 55.8 mt -64.11 -68.41 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.986 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 p -131.94 152.67 50.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.29 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.432 ' HB3' ' NE2' ' A' ' 89' ' ' GLN . 15.1 tmm? -107.82 123.07 48.02 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.717 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.452 ' HB2' ' CD ' ' A' ' 87' ' ' GLU . . . -123.49 148.66 46.01 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -178.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.5 t -99.61 133.49 42.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.837 178.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.27 135.68 46.07 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.743 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.447 HD11 ' HB2' ' A' ' 86' ' ' ARG . 69.6 mt -97.32 -19.11 18.74 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.464 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -149.25 -176.04 5.22 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -90.49 150.83 21.63 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.329 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -151.38 136.9 17.79 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.527 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.404 ' HA ' HG23 ' A' ' 40' ' ' THR . 26.5 mmt -112.32 141.93 45.44 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.282 178.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.01 108.98 29.63 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -78.01 -51.81 0.07 OUTLIER 'Trans proline' 0 C--N 1.368 1.576 0 C-N-CA 122.706 2.271 . . . . 0.0 112.38 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -90.25 164.71 14.28 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.442 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.1 p -64.24 -25.78 68.21 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.4 ptt85 -92.57 5.78 49.65 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -98.6 162.29 13.21 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 117.787 0.267 . . . . 0.0 110.752 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.455 HD22 HG12 ' A' ' 65' ' ' VAL . 34.0 mt -116.69 136.21 53.15 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.404 HG23 ' HA ' ' A' ' 32' ' ' MET . 51.1 m -90.33 111.32 22.49 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.032 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.6 mt -114.48 151.24 16.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.441 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -116.19 154.98 29.1 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.202 178.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -64.18 116.75 6.27 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.548 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.81 -0.06 52.19 Favored Glycine 0 C--N 1.339 0.703 0 C-N-CA 121.089 -0.576 . . . . 0.0 114.173 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -83.12 152.15 25.43 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 117.519 0.66 . . . . 0.0 111.848 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.2 t -88.32 114.71 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.96 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.626 HG22 HG23 ' A' ' 65' ' ' VAL . 6.8 t -116.22 133.47 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 120.677 0.275 . . . . 0.0 111.082 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -102.76 130.25 49.67 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.801 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.8 t -94.5 125.79 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.213 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -107.87 -29.87 8.82 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.6 p -145.43 143.56 30.12 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.594 0.591 . . . . 0.0 112.594 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -119.39 110.08 16.53 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.137 178.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.668 HD23 ' HB3' ' A' ' 11' ' ' LYS . 20.8 mt -71.13 151.96 43.92 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -178.287 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -115.4 -133.48 0.34 Allowed 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.876 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.78 -136.35 38.45 Favored Glycine 0 C--N 1.35 1.322 0 C-N-CA 121.529 -0.367 . . . . 0.0 113.32 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -86.87 -0.7 56.93 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.618 0.246 . . . . 0.0 110.705 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -132.77 60.79 0.66 Allowed Glycine 0 C--N 1.335 0.498 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.035 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.448 ' H ' ' NE ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -71.91 -6.22 40.28 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.122 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.3 pp -96.84 1.36 50.55 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.573 0.225 . . . . 0.0 110.93 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -96.81 122.08 39.38 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.055 0.455 . . . . 0.0 110.794 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 35.4 m0 -110.95 -178.9 3.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.619 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -163.49 163.58 35.72 Favored Glycine 0 C--N 1.333 0.415 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.21 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 161.63 -142.56 8.12 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 121.104 -0.57 . . . . 0.0 112.249 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.2 p -132.95 133.04 42.67 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.567 0.223 . . . . 0.0 110.635 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.626 HG23 HG22 ' A' ' 47' ' ' VAL . 6.5 p -92.33 127.41 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-O 121.209 0.528 . . . . 0.0 111.553 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -100.96 149.43 23.92 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.472 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.31 -15.06 0.19 Allowed Glycine 0 C--N 1.334 0.434 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.341 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -134.52 -45.61 0.75 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.906 0.384 . . . . 0.0 110.404 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.9 t80 55.88 84.38 0.08 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.986 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -125.08 -11.07 7.09 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.815 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.29 14.29 59.0 Favored Glycine 0 C--N 1.334 0.43 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.62 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -122.93 -16.39 7.09 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 122.144 0.178 . . . . 0.0 111.147 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.459 HD13 ' N ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -114.81 -5.57 12.63 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.899 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -135.49 33.22 3.02 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.964 0.411 . . . . 0.0 111.413 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -140.25 -0.42 1.63 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.605 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -108.35 -19.3 13.51 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 71.8 mt 56.93 104.22 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.881 0 O-C-N 124.388 1.055 . . . . 0.0 112.472 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.435 ' HA3' ' HG ' ' A' ' 39' ' ' LEU . . . -110.12 -161.4 18.49 Favored Glycine 0 C--N 1.334 0.423 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.104 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.432 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 54.9 m-85 -132.76 156.78 46.44 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 120.87 0.367 . . . . 0.0 111.123 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -156.05 150.4 19.97 Favored Pre-proline 0 CA--C 1.541 0.619 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.724 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -74.38 137.03 22.65 Favored 'Trans proline' 0 C--N 1.367 1.509 0 C-N-CA 122.388 2.059 . . . . 0.0 111.998 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 97.4 p -65.32 -20.69 66.52 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.341 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.5 t -65.78 -22.85 66.61 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.0 pt -96.67 -2.76 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.1 m -115.66 152.02 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.988 0.423 . . . . 0.0 111.888 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.447 ' HB2' HD11 ' A' ' 28' ' ' LEU . 60.1 ttt180 -124.22 110.72 15.01 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.511 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.452 ' CD ' ' HB2' ' A' ' 25' ' ' ALA . 57.9 mm-40 -75.18 128.64 35.94 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.9 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.59 -38.11 5.28 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.853 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.432 ' NE2' ' HB3' ' A' ' 24' ' ' MET . 0.4 OUTLIER -149.83 170.01 19.76 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -179.582 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.1 m -123.63 131.59 53.65 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.251 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.7 mt -88.4 -44.14 10.97 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.946 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.419 ' HE2' ' HB3' ' A' ' 92' ' ' LYS . 17.3 mtpt -144.38 135.74 12.65 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.817 178.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -61.5 128.61 25.29 Favored 'Trans proline' 0 C--N 1.366 1.492 0 C-N-CA 122.991 2.461 . . . . 0.0 113.334 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -96.8 88.44 0.99 Allowed Glycine 0 C--N 1.334 0.468 0 N-CA-C 111.434 -0.667 . . . . 0.0 111.434 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -128.66 19.0 6.21 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.6 t -107.57 108.81 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -80.43 111.43 16.83 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.153 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 32.1 t -122.95 133.1 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.019 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.615 ' HG3' ' HG2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -79.34 157.73 27.61 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.173 179.789 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 71.0 p -91.98 155.27 18.25 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -106.42 -175.45 2.8 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.736 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -68.87 -35.21 76.63 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.103 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -87.88 45.72 1.31 Allowed 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.032 0.444 . . . . 0.0 112.046 -178.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -124.85 -29.68 3.36 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.508 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -122.11 38.22 4.18 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.264 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -137.71 123.42 19.89 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.856 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 56.5 m -121.93 30.81 6.47 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.418 ' HG3' ' HA2' ' A' ' 2' ' ' GLY . 79.5 mt-30 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.235 -0.888 . . . . 0.0 111.009 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.7 ttm . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.74 0.305 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.4 176.82 16.01 Favored Glycine 0 CA--C 1.523 0.553 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.709 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -82.4 130.04 6.05 Favored 'Trans proline' 0 C--N 1.362 1.249 0 C-N-CA 122.577 2.184 . . . . 0.0 112.193 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.1 ptm -145.42 157.45 52.51 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.75 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.66 168.93 3.64 Favored 'Trans proline' 0 C--N 1.374 1.891 0 C-N-CA 122.792 2.328 . . . . 0.0 113.651 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -72.46 155.17 40.39 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.829 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.1 tp -109.04 -20.51 13.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.162 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -154.06 170.55 20.86 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.53 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -99.26 -61.22 1.4 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.384 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' A' ' 99' ' ' LYS . 99.8 mtt180 -125.37 164.25 20.81 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.24 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.7 pttt -143.85 166.38 25.09 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.674 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' A' ' 51' ' ' SER . 3.7 mm? -98.07 129.07 44.92 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.767 178.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 78.6 m -133.01 171.9 13.35 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.841 0.713 . . . . 0.0 110.64 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.521 ' HB1' ' HG2' ' A' ' 92' ' ' LYS . . . -81.23 -33.59 32.76 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.438 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -139.8 173.97 10.99 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.825 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -66.13 -17.14 64.52 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.666 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -89.51 -19.28 25.24 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 91.0 m 58.34 26.71 14.36 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.428 0.632 . . . . 0.0 109.797 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.2 t -95.91 -12.92 24.38 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.626 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -95.33 150.55 37.74 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.773 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -90.88 124.35 0.95 Allowed 'Trans proline' 0 C--N 1.367 1.52 0 C-N-CA 122.897 2.398 . . . . 0.0 111.954 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.2 mt -66.97 -62.56 1.19 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.003 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.1 t -141.92 144.41 33.76 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.997 0.427 . . . . 0.0 111.814 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.465 ' HB2' HD11 ' A' ' 91' ' ' LEU . 15.5 tmm? -89.18 114.93 26.28 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.21 147.36 39.07 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -178.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.9 t -97.13 139.35 19.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.136 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.44 138.24 34.45 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.235 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 86' ' ' ARG . 6.1 mp -99.7 -39.08 8.43 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -179.167 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.447 ' HA ' ' HB3' ' A' ' 43' ' ' ARG . 1.5 pt20 -138.55 168.14 20.42 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -71.8 153.56 41.86 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.349 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -151.58 125.73 9.27 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.169 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -101.6 131.31 47.87 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.164 0.29 . . . . 0.0 110.237 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . . . -105.63 124.31 36.62 Favored Pre-proline 0 CA--C 1.533 0.327 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 3.8 Cg_exo -78.14 -61.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.366 1.458 0 C-N-CA 122.694 2.263 . . . . 0.0 112.09 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -91.31 165.62 13.34 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.472 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.0 t -64.22 -22.82 67.08 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.318 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -61.42 -24.39 66.49 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.988 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -109.59 166.88 10.56 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.609 0.242 . . . . 0.0 111.222 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.434 ' HG ' ' HA3' ' A' ' 78' ' ' GLY . 28.1 mt -116.62 136.43 52.98 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.151 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 53.2 m -88.78 108.23 19.39 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.4 mt -110.24 139.05 35.35 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -176.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 54.9 m170 -103.99 137.17 42.35 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 177.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.447 ' HB3' ' HA ' ' A' ' 29' ' ' GLN . 9.4 ptm180 -60.56 132.37 53.68 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.143 0.497 . . . . 0.0 112.161 -178.316 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.55 -14.33 59.28 Favored Glycine 0 C--N 1.336 0.574 0 CA-C-N 115.418 -0.81 . . . . 0.0 113.158 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -78.28 166.16 23.03 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.019 0.438 . . . . 0.0 111.854 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 t -96.99 121.16 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.963 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.1 t -119.81 121.79 67.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 O-C-N 123.125 0.266 . . . . 0.0 110.354 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -92.25 125.95 37.13 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.809 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.3 t -87.91 129.15 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.067 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -112.27 -33.81 6.1 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.457 ' HA ' ' O ' ' A' ' 12' ' ' LEU . 71.0 p -147.05 150.01 34.22 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -178.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -119.22 115.71 24.77 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.364 -0.835 . . . . 0.0 108.763 177.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.4 mt -66.83 148.46 51.9 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -116.51 -27.47 6.73 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.522 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -67.9 -111.12 0.02 OUTLIER Glycine 0 C--N 1.339 0.734 0 N-CA-C 113.954 0.341 . . . . 0.0 113.954 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -86.94 12.2 11.74 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.777 0.322 . . . . 0.0 110.928 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -124.4 58.96 0.64 Allowed Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.058 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -55.5 -53.19 59.48 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.057 0.456 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.3 mt -97.99 18.14 16.67 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.076 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -111.26 124.59 52.53 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.37 0.605 . . . . 0.0 111.353 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 45.2 m0 -109.46 -171.37 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.091 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -163.15 163.3 35.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.395 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 164.8 -144.09 9.06 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 112.121 -0.392 . . . . 0.0 112.121 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.1 m -140.78 142.01 34.74 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.692 0.282 . . . . 0.0 110.407 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 43.5 t -90.5 131.74 36.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.321 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -129.85 96.64 4.27 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.437 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -126.46 -36.53 0.52 Allowed Glycine 0 C--N 1.334 0.436 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.153 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -148.0 -22.41 0.35 Allowed 'General case' 0 C--O 1.235 0.337 0 O-C-N 123.719 0.305 . . . . 0.0 110.18 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.2 t80 76.92 -45.74 0.49 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.005 1.322 . . . . 0.0 113.021 178.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 57.72 16.51 3.53 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.392 0.677 . . . . 0.0 112.314 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.34 -42.35 2.36 Favored Glycine 0 C--N 1.337 0.6 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.235 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -140.94 110.14 6.22 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 122.492 0.317 . . . . 0.0 110.605 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.8 tp -155.49 -46.02 0.08 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.272 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.84 23.52 7.03 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.128 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.81 -46.44 36.75 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.922 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.94 154.58 21.96 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.832 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.76 133.39 34.72 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.231 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.434 ' HA3' ' HG ' ' A' ' 39' ' ' LEU . . . -128.19 179.62 16.43 Favored Glycine 0 C--N 1.337 0.62 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.027 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -126.35 157.42 38.51 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.891 0.346 . . . . 0.0 111.092 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -154.6 153.96 28.59 Favored Pre-proline 0 CA--C 1.542 0.657 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.236 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo -72.36 137.2 27.84 Favored 'Trans proline' 0 C--N 1.369 1.626 0 C-N-CA 122.397 2.065 . . . . 0.0 112.092 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 93.7 p -64.69 -23.4 67.24 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.674 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.4 m -65.62 -18.63 65.46 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.9 pt -101.97 0.98 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.9 m -122.84 155.5 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-O 120.813 0.339 . . . . 0.0 111.565 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.487 ' HB2' HD11 ' A' ' 28' ' ' LEU . 53.0 ttt85 -133.64 108.42 8.55 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.474 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -67.97 124.12 22.51 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.394 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -111.03 -47.24 3.23 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.584 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.78 129.11 25.73 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.2 m -83.79 122.01 28.09 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.698 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.465 HD11 ' HB2' ' A' ' 24' ' ' MET . 10.5 mt -86.05 -29.75 23.17 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.169 -178.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.521 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -155.54 132.78 6.38 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.031 -179.688 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -60.46 125.97 18.77 Favored 'Trans proline' 0 C--N 1.366 1.472 0 C-N-CA 123.075 2.517 . . . . 0.0 113.684 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.435 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -97.58 93.3 1.4 Allowed Glycine 0 C--N 1.335 0.481 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.246 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -137.61 29.09 2.66 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -178.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.7 t -124.03 115.06 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.149 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -85.36 116.72 23.85 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.457 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 16.7 t -128.62 137.98 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.107 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 2.9 pptp? -78.38 168.17 20.22 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.88 -0.145 . . . . 0.0 111.205 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 76.5 p -91.55 146.52 23.72 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.838 0.352 . . . . 0.0 111.304 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -101.59 -174.92 2.71 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.478 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.57 -16.1 52.7 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -81.0 -8.88 59.88 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.728 0.299 . . . . 0.0 110.813 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -80.55 -22.19 41.05 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.598 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -126.85 35.05 4.67 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.78 0.324 . . . . 0.0 110.879 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -137.6 107.27 6.21 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.406 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 86.5 m -113.36 34.42 4.53 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.137 -179.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.627 179.896 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.64 0.257 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 120.88 174.34 14.99 Favored Glycine 0 CA--C 1.524 0.649 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.698 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -77.25 142.55 21.53 Favored 'Trans proline' 0 C--N 1.362 1.256 0 C-N-CA 122.567 2.178 . . . . 0.0 112.514 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 13.0 ptm -154.67 163.76 23.21 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.439 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -45.36 143.73 5.24 Favored 'Trans proline' 0 C--N 1.381 2.246 0 C-N-CA 122.813 2.342 . . . . 0.0 113.568 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 7' ' ' LEU . 28.9 mtpp -78.39 -12.43 60.0 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.594 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.47 HD23 ' CZ ' ' A' ' 37' ' ' ARG . 4.0 mm? 76.42 -48.32 0.56 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.225 1.01 . . . . 0.0 110.943 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.85 -160.16 1.09 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.041 0.536 . . . . 0.0 110.074 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -125.91 -38.86 2.15 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 120.448 0.166 . . . . 0.0 111.134 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.428 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 8.0 mpt_? -122.52 162.17 22.26 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.761 0.315 . . . . 0.0 111.264 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.498 ' HB3' HD23 ' A' ' 53' ' ' LEU . 18.4 pttp -132.15 168.49 17.92 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.329 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 51' ' ' SER . 73.6 mt -115.94 131.73 56.85 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.333 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 71.7 m -132.98 168.66 18.07 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 123.504 0.502 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.45 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -76.15 -37.1 58.38 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.088 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.423 ' HA ' HG21 ' A' ' 96' ' ' VAL . 1.5 p30 -139.6 174.01 10.95 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.818 178.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -67.56 -9.86 46.54 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -179.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -91.45 -21.33 20.99 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 111.49 0.181 . . . . 0.0 111.49 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.6 m 57.96 31.73 21.0 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.691 0.758 . . . . 0.0 109.793 -177.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.9 t -100.03 -13.64 18.97 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.845 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -98.48 153.4 38.0 Favored Pre-proline 0 CA--C 1.537 0.477 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.933 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -92.64 130.67 0.95 Allowed 'Trans proline' 0 C--N 1.37 1.661 0 C-N-CA 122.946 2.43 . . . . 0.0 112.027 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.2 mt -73.75 -62.48 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.109 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.4 p -139.64 148.81 42.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.933 0.397 . . . . 0.0 111.921 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.435 ' HB2' HD11 ' A' ' 91' ' ' LEU . 15.3 tmm? -98.52 119.29 36.97 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.959 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.49 149.99 41.54 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.5 t -100.07 134.75 38.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.622 178.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.22 132.64 44.36 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.794 0.33 . . . . 0.0 111.346 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.457 HD11 ' HB2' ' A' ' 86' ' ' ARG . 83.8 mt -94.01 -24.62 17.57 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.737 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -149.25 -174.93 4.79 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -91.17 151.21 21.05 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.436 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -151.41 136.69 17.6 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.343 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.4 ' HA ' HG23 ' A' ' 40' ' ' THR . 26.4 mmt -116.1 137.33 52.22 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.235 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.96 110.41 59.25 Favored Pre-proline 0 CA--C 1.535 0.39 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -178.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -74.47 -55.02 0.09 OUTLIER 'Trans proline' 0 C--N 1.363 1.326 0 C-N-CA 122.408 2.072 . . . . 0.0 111.515 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -91.44 161.77 14.85 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.775 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.4 p -61.39 -26.21 67.7 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.804 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.47 ' CZ ' HD23 ' A' ' 7' ' ' LEU . 1.9 tmt_? -68.68 -29.5 67.96 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.528 -178.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -89.94 168.81 11.74 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.452 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.557 HD21 HG23 ' A' ' 65' ' ' VAL . 57.7 tp -125.17 136.88 54.03 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.419 -179.361 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.4 HG23 ' HA ' ' A' ' 32' ' ' MET . 28.6 m -89.37 121.89 32.07 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 70.5 mt -127.73 147.19 32.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.164 -178.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -112.88 152.51 29.19 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.199 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.9 ttp85 -62.93 120.93 12.29 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.639 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.92 -7.34 57.25 Favored Glycine 0 C--N 1.338 0.674 0 C-N-CA 120.99 -0.624 . . . . 0.0 114.102 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -79.94 152.41 29.57 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 117.49 0.645 . . . . 0.0 111.694 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.9 t -87.48 122.79 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.761 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.403 HG22 HG22 ' A' ' 65' ' ' VAL . 21.5 t -126.45 124.22 64.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 120.684 0.278 . . . . 0.0 111.218 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -95.11 128.55 42.03 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.184 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.8 t -92.0 127.58 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.254 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -108.13 -33.23 7.22 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.832 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 12' ' ' LEU . 61.4 p -136.83 142.33 42.87 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -179.224 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.3 mttm -125.77 111.01 14.39 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.121 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.498 HD23 ' HB3' ' A' ' 11' ' ' LYS . 83.8 mt -68.72 156.66 37.84 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -178.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -140.42 153.96 46.5 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.74 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.93 -104.79 1.7 Allowed Glycine 0 C--N 1.335 0.502 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.869 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -85.77 -24.66 26.77 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.465 0.174 . . . . 0.0 111.053 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -132.07 58.08 0.71 Allowed Glycine 0 C--N 1.336 0.538 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.666 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.464 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -72.22 -12.79 61.32 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 179.77 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.5 mt -90.01 5.21 47.58 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -110.59 119.06 37.94 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.143 0.497 . . . . 0.0 111.261 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -111.85 -175.67 2.75 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.405 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.4 158.07 30.58 Favored Glycine 0 C--N 1.338 0.665 0 C-N-CA 120.69 -0.767 . . . . 0.0 113.048 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 172.89 -148.72 10.69 Favored Glycine 0 C--N 1.337 0.607 0 C-N-CA 121.481 -0.39 . . . . 0.0 112.681 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.473 ' HB2' ' HA ' ' A' ' 74' ' ' ALA . 88.6 p -128.35 164.17 23.23 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 122.36 0.264 . . . . 0.0 110.561 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.557 HG23 HD21 ' A' ' 39' ' ' LEU . 60.3 t -112.39 121.16 64.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-O 120.779 0.324 . . . . 0.0 111.611 -179.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -92.99 139.04 30.94 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.025 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 145.1 -48.62 0.7 Allowed Glycine 0 C--N 1.334 0.441 0 C-N-CA 121.047 -0.596 . . . . 0.0 112.661 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -115.19 132.46 56.6 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.635 0.255 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -138.27 77.11 1.61 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.302 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -121.08 -14.34 8.42 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.8 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -172.53 95.03 0.1 Allowed Glycine 0 C--N 1.332 0.338 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.168 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 61.2 -90.25 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.694 0.798 . . . . 0.0 111.618 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.36 -80.08 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.059 0.944 . . . . 0.0 112.102 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.473 ' HA ' ' HB2' ' A' ' 64' ' ' SER . . . -77.07 -14.33 59.83 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.14 -35.97 78.94 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.786 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -97.92 153.98 17.97 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.243 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.3 mt -117.96 123.36 45.58 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.025 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.524 ' HA3' ' HB2' ' A' ' 39' ' ' LEU . . . -114.96 175.01 15.69 Favored Glycine 0 C--N 1.334 0.421 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.758 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -122.72 144.71 48.98 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.09 0.472 . . . . 0.0 111.314 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -147.48 156.05 45.65 Favored Pre-proline 0 CA--C 1.541 0.617 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.221 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.415 ' O ' HG12 ' A' ' 84' ' ' ILE . 11.2 Cg_exo -71.05 139.47 35.84 Favored 'Trans proline' 0 C--N 1.367 1.539 0 C-N-CA 122.18 1.92 . . . . 0.0 111.424 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.8 p -63.14 -21.82 66.45 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.788 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.4 p -65.66 -21.43 66.55 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 81' ' ' PRO . 27.7 pt -91.56 -1.68 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.0 m -125.14 154.0 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.457 ' HB2' HD11 ' A' ' 28' ' ' LEU . 67.3 ttt-85 -125.27 116.51 22.07 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.718 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -78.88 122.15 25.75 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.399 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -105.7 -36.97 6.89 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.286 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -147.7 141.66 25.89 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.8 m -98.34 123.83 42.66 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 177.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' A' ' 24' ' ' MET . 8.2 mt -84.86 -39.16 18.6 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -177.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -152.91 135.24 9.06 Favored Pre-proline 0 CA--C 1.544 0.722 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -53.73 134.55 59.09 Favored 'Trans proline' 0 C--N 1.372 1.763 0 C-N-CA 123.587 2.858 . . . . 0.0 114.364 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.45 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -110.73 87.14 0.46 Allowed Glycine 0 C--N 1.335 0.488 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 178.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.9 ptpp? -130.24 34.82 4.16 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.423 HG21 ' HA ' ' A' ' 15' ' ' ASP . 60.8 t -122.42 107.54 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 120.894 0.378 . . . . 0.0 110.005 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -84.32 120.75 26.62 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.194 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.54 129.79 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.248 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.428 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 9.8 mtmp? -79.09 152.13 31.01 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.325 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.3 p -95.51 161.33 14.11 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.574 0.226 . . . . 0.0 110.986 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -119.34 -173.65 2.56 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.126 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -70.29 -35.31 73.62 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.975 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -94.38 56.64 2.17 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.386 0.612 . . . . 0.0 111.312 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.76 -51.13 1.59 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.84 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -118.84 63.44 0.78 Allowed 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.076 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -150.5 102.05 3.01 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.233 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 69.8 m -94.79 93.78 7.69 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.669 178.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.702 -179.37 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.1 mtp . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 121.121 0.486 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.95 172.87 38.29 Favored Glycine 0 CA--C 1.524 0.6 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.874 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -81.18 129.73 6.94 Favored 'Trans proline' 0 C--N 1.361 1.227 0 C-N-CA 122.624 2.216 . . . . 0.0 112.33 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -144.32 158.62 54.27 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.746 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -50.86 144.73 26.17 Favored 'Trans proline' 0 C--N 1.377 2.033 0 C-N-CA 123.283 2.656 . . . . 0.0 113.83 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -89.59 172.87 8.65 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.222 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.456 HD21 ' CZ ' ' A' ' 37' ' ' ARG . 1.4 mm? -93.19 -43.9 8.61 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.248 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.61 -159.46 1.02 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.204 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -123.61 -34.56 3.04 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.767 -0.197 . . . . 0.0 111.189 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.416 ' HE ' ' NZ ' ' A' ' 99' ' ' LYS . 64.8 mtt85 -126.06 159.86 31.63 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.086 0.47 . . . . 0.0 111.871 -179.476 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.703 ' HB3' HD23 ' A' ' 53' ' ' LEU . 43.3 pttt -136.79 171.45 14.48 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.643 -179.123 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' A' ' 51' ' ' SER . 4.1 mm? -110.18 127.62 55.03 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.082 178.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.403 ' HA ' HD11 ' A' ' 22' ' ' ILE . 75.2 m -134.04 166.83 21.82 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.606 0.566 . . . . 0.0 110.187 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.432 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -76.56 -39.0 54.06 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.014 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -129.5 172.11 11.89 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.381 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -68.26 -18.56 64.57 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.67 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -88.54 -20.89 24.47 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.268 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.4 t 58.05 29.16 17.36 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 124.146 0.903 . . . . 0.0 109.49 -178.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 t -92.75 -5.14 51.87 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.185 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -101.76 148.03 34.7 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.48 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -89.7 120.38 0.94 Allowed 'Trans proline' 0 C--N 1.367 1.529 0 C-N-CA 122.693 2.262 . . . . 0.0 111.454 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.403 HD11 ' HA ' ' A' ' 13' ' ' CYS . 60.4 mt -64.6 -65.71 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.435 -179.305 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.8 m -141.24 146.57 37.02 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.119 0.485 . . . . 0.0 112.143 -178.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.421 ' HB2' HD11 ' A' ' 91' ' ' LEU . 16.0 tmm? -93.47 123.55 36.85 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.462 179.095 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.19 148.11 44.07 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.913 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.9 t -98.02 137.64 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.457 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.74 133.16 35.62 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.488 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 mp -100.25 -16.79 17.61 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.413 ' HA ' ' HE ' ' A' ' 43' ' ' ARG . 1.8 pt20 -151.9 173.59 14.62 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -80.64 148.85 30.07 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.157 -0.928 . . . . 0.0 111.524 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -152.02 138.76 18.84 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.611 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.401 ' HA ' HG23 ' A' ' 40' ' ' THR . 97.0 mmm -115.21 142.19 47.0 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.348 0.405 . . . . 0.0 110.077 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.2 108.66 25.68 Favored Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -81.01 -49.37 0.06 OUTLIER 'Trans proline' 0 C--N 1.365 1.435 0 C-N-CA 122.678 2.252 . . . . 0.0 112.479 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -90.39 164.17 14.41 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.4 t -61.45 -35.68 78.27 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.54 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.456 ' CZ ' HD21 ' A' ' 7' ' ' LEU . 42.9 ptt85 -88.09 12.36 13.77 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -178.65 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -103.68 161.07 14.22 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.609 0.243 . . . . 0.0 111.118 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.417 ' HG ' ' HA3' ' A' ' 78' ' ' GLY . 36.5 mt -118.95 143.35 47.08 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.401 HG23 ' HA ' ' A' ' 32' ' ' MET . 48.3 m -95.71 116.87 29.5 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.215 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.0 mt -122.31 132.53 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.084 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -94.01 157.76 15.95 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.794 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.413 ' HE ' ' HA ' ' A' ' 29' ' ' GLN . 32.0 ttm180 -63.96 115.12 4.58 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.573 -178.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.61 7.49 53.62 Favored Glycine 0 C--N 1.339 0.7 0 C-N-CA 121.005 -0.617 . . . . 0.0 114.257 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -83.44 150.86 25.78 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 117.877 0.838 . . . . 0.0 112.046 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 56.2 t -86.14 120.17 35.55 Favored 'Isoleucine or valine' 0 C--O 1.23 0.042 0 CA-C-N 114.993 -1.003 . . . . 0.0 108.956 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.0 t -123.72 125.87 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.697 0.284 . . . . 0.0 111.21 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -91.92 123.79 35.55 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.672 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.2 t -90.36 124.45 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.326 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -107.32 -35.9 6.67 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.076 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 12' ' ' LEU . 68.8 p -140.48 144.38 36.0 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -178.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -124.46 110.64 14.76 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.205 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.703 HD23 ' HB3' ' A' ' 11' ' ' LYS . 41.5 mt -71.69 154.35 41.42 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -112.18 -134.49 0.35 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.692 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 60.54 -143.5 47.93 Favored Glycine 0 C--N 1.351 1.397 0 N-CA-C 114.117 0.407 . . . . 0.0 114.117 179.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -77.81 -22.75 49.57 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.324 -0.438 . . . . 0.0 111.259 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -113.34 52.44 0.64 Allowed Glycine 0 C--N 1.335 0.497 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.927 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.6 ptt-85 -72.44 -6.92 46.97 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 75.8 mt -87.22 -2.2 58.45 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.308 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -98.75 119.44 37.5 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 121.417 0.627 . . . . 0.0 111.548 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 33.3 m0 -106.26 -175.31 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.035 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.425 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -166.54 164.93 38.04 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.804 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 157.36 -145.25 11.65 Favored Glycine 0 C--N 1.335 0.525 0 C-N-CA 121.511 -0.376 . . . . 0.0 112.215 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 97.7 p -126.84 162.68 25.33 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.6 p -117.33 130.83 71.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-O 121.394 0.616 . . . . 0.0 112.265 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -85.1 167.33 15.87 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.177 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.73 112.52 2.28 Favored Glycine 0 C--N 1.334 0.471 0 CA-C-N 115.93 -0.577 . . . . 0.0 113.341 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 62.34 107.93 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.903 0.881 . . . . 0.0 112.843 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -108.47 96.16 6.16 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.138 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -90.55 -7.72 52.14 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.783 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 151.14 -90.79 0.13 Allowed Glycine 0 C--N 1.334 0.455 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.699 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -94.02 103.82 15.88 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.754 0.311 . . . . 0.0 110.909 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.8 tp -151.78 -50.35 0.11 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.757 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.3 -16.15 22.63 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.123 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.44 -35.32 75.56 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.515 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.1 148.35 26.92 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.088 179.017 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.5 mt -110.32 133.05 53.64 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.57 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.417 ' HA3' ' HG ' ' A' ' 39' ' ' LEU . . . -122.45 -167.75 13.06 Favored Glycine 0 C--N 1.335 0.488 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.805 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.425 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 40.7 m-85 -130.81 156.78 44.41 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.836 0.351 . . . . 0.0 111.05 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -153.74 150.19 22.55 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.753 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.415 ' O ' HG12 ' A' ' 84' ' ' ILE . 7.5 Cg_exo -73.59 135.62 22.25 Favored 'Trans proline' 0 C--N 1.365 1.443 0 C-N-CA 122.285 1.99 . . . . 0.0 111.772 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.9 p -64.82 -20.04 66.18 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.719 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.3 p -66.43 -19.58 65.83 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 81' ' ' PRO . 28.3 pt -96.78 -3.59 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -179.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.405 HG13 HG13 ' A' ' 84' ' ' ILE . 26.2 m -120.06 162.5 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 121.172 0.51 . . . . 0.0 112.042 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -134.88 115.58 13.78 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.633 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -79.23 144.89 33.95 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.271 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -146.84 -30.86 0.35 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.565 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -135.77 141.05 44.75 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 49.6 m -107.17 124.12 49.26 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.799 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.421 HD11 ' HB2' ' A' ' 24' ' ' MET . 22.0 mt -87.83 -22.59 24.39 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.846 -178.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -167.06 129.23 1.33 Allowed Pre-proline 0 CA--C 1.542 0.645 0 O-C-N 123.526 0.517 . . . . 0.0 110.152 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -54.28 123.76 14.37 Favored 'Trans proline' 0 C--N 1.371 1.751 0 C-N-CA 122.452 2.101 . . . . 0.0 113.401 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -104.98 93.19 0.9 Allowed Glycine 0 C--N 1.335 0.519 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 178.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.55 33.08 2.04 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.407 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.6 t -121.51 112.09 33.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.088 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -78.67 118.66 20.97 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.264 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 16.2 t -125.27 132.13 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.944 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.416 ' NZ ' ' HE ' ' A' ' 10' ' ' ARG . 55.8 mttm -74.47 160.71 30.6 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.641 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.8 p -100.88 167.99 9.93 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.641 0.258 . . . . 0.0 110.612 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -119.33 -179.57 3.89 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.494 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -77.51 -27.17 51.7 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.344 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -74.11 -17.15 60.98 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.239 0.337 . . . . 0.0 111.151 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -78.08 -21.19 50.92 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.404 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -129.59 47.22 2.52 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.453 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -150.4 117.98 6.13 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.945 0.402 . . . . 0.0 111.172 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 75.8 m -114.97 156.82 24.35 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.691 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.679 179.497 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.583 0.23 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 151.6 168.56 16.18 Favored Glycine 0 C--N 1.335 0.517 0 CA-C-O 119.476 -0.625 . . . . 0.0 112.458 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.541 ' HA ' HH22 ' A' ' 37' ' ' ARG . 21.3 Cg_endo -90.23 130.44 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 122.888 2.392 . . . . 0.0 113.222 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 13.3 ptt? -138.22 171.66 7.96 Favored Pre-proline 0 CA--C 1.549 0.933 0 CA-C-O 118.379 -0.819 . . . . 0.0 109.166 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -46.23 139.12 12.53 Favored 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 122.474 2.116 . . . . 0.0 113.57 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -63.48 -24.99 68.06 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.356 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.4 mt 77.64 -46.04 0.46 Allowed 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.323 1.049 . . . . 0.0 111.568 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -143.56 169.87 16.9 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 122.488 0.315 . . . . 0.0 110.744 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -109.52 -42.51 4.3 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.374 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.471 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 1.7 mpp_? -125.33 155.53 40.12 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.093 0.473 . . . . 0.0 111.438 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -130.45 162.89 28.16 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.427 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.406 HD21 ' NZ ' ' A' ' 54' ' ' LYS . 2.7 mm? -114.2 119.51 37.3 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.254 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.416 ' HA ' HD11 ' A' ' 22' ' ' ILE . 61.4 m -120.18 175.85 5.74 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.331 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.438 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -87.66 -21.45 25.26 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.302 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -143.38 170.51 15.65 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.446 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -67.37 -23.02 65.55 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -88.77 -17.74 29.19 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.46 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.2 t 58.45 26.22 13.93 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 124.047 0.842 . . . . 0.0 109.767 -178.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.6 t -93.65 -4.07 51.32 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 114.496 -1.229 . . . . 0.0 110.726 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -98.13 147.52 33.2 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.469 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.495 ' HB2' HD12 ' A' ' 91' ' ' LEU . 44.2 Cg_endo -93.15 121.04 0.42 Allowed 'Trans proline' 0 C--N 1.365 1.412 0 C-N-CA 122.92 2.413 . . . . 0.0 112.098 179.322 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.416 HD11 ' HA ' ' A' ' 13' ' ' CYS . 49.9 mt -69.68 -66.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.511 -179.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.7 p -132.49 140.23 48.28 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.197 0.522 . . . . 0.0 112.369 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.5 ttp -91.96 114.0 26.43 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.656 178.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.96 141.85 49.29 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.4 t -93.97 133.68 34.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.315 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.01 128.96 38.13 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.96 0.409 . . . . 0.0 111.559 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.452 HD11 ' HB2' ' A' ' 86' ' ' ARG . 86.6 mt -90.97 -22.33 20.87 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.41 -0.813 . . . . 0.0 112.449 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -150.2 -174.82 4.84 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -91.6 154.26 19.17 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.082 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -151.19 134.0 15.74 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.634 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 93.6 mtp -109.65 130.04 55.54 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.576 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.84 119.14 67.27 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.88 -64.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.365 1.442 0 C-N-CA 122.65 2.233 . . . . 0.0 111.775 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -91.38 167.75 12.06 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.809 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.6 p -65.84 -15.15 62.65 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.541 HH22 ' HA ' ' A' ' 3' ' ' PRO . 65.5 mtt85 -75.75 -27.77 58.23 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.315 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -89.96 162.3 15.47 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.648 0.261 . . . . 0.0 110.969 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.648 HD21 HG23 ' A' ' 65' ' ' VAL . 66.2 tp -119.67 136.79 54.26 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.659 -178.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.4 m -88.77 123.27 33.02 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.7 mt -127.87 144.24 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.641 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -108.97 151.54 26.18 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.377 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -63.76 121.63 14.46 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.496 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.83 -11.44 52.94 Favored Glycine 0 C--N 1.338 0.664 0 C-N-CA 121.036 -0.602 . . . . 0.0 113.769 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -78.2 149.38 33.71 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 117.196 0.498 . . . . 0.0 111.806 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.3 t -86.5 123.41 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.464 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.495 HG22 HG22 ' A' ' 65' ' ' VAL . 8.8 t -121.04 121.8 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 111.33 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -91.2 124.19 35.22 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.971 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.7 t -88.35 131.49 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -112.04 -36.61 5.32 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.9 p -140.56 146.85 38.59 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -121.9 116.18 23.92 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.3 mt -72.6 142.96 48.38 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.406 ' NZ ' HD21 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -130.37 158.23 40.42 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.005 179.066 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.87 -102.13 1.35 Allowed Glycine 0 C--N 1.335 0.512 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.172 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -89.91 -17.04 28.73 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.677 0.275 . . . . 0.0 110.59 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.66 60.34 0.68 Allowed Glycine 0 C--N 1.337 0.619 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.993 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.2 tpt85 -68.78 -22.63 64.27 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 122.634 0.373 . . . . 0.0 111.349 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 73.4 mt -90.94 -1.06 57.87 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.413 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -101.13 125.88 47.79 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.103 0.477 . . . . 0.0 111.455 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -112.06 -173.41 2.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.402 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -164.99 154.05 24.61 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.767 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 170.47 -150.57 14.56 Favored Glycine 0 C--N 1.337 0.589 0 C-N-CA 121.315 -0.469 . . . . 0.0 112.437 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.5 t -142.69 146.79 34.75 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.577 0.227 . . . . 0.0 110.75 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.648 HG23 HD21 ' A' ' 39' ' ' LEU . 98.4 t -88.86 133.02 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.206 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -91.35 -85.17 0.24 Allowed 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 76.22 -73.98 1.72 Allowed Glycine 0 C--N 1.346 1.113 0 C-N-CA 121.563 -0.351 . . . . 0.0 112.46 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -127.65 -22.53 3.58 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.5 t80 66.85 -78.97 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 114.437 -1.256 . . . . 0.0 112.834 178.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 28.9 p90 45.56 26.47 0.32 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.872 1.269 . . . . 0.0 113.976 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.62 -63.81 3.23 Favored Glycine 0 C--N 1.34 0.75 0 C-N-CA 121.389 -0.434 . . . . 0.0 114.006 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -65.88 167.49 9.47 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 122.619 0.368 . . . . 0.0 111.531 -178.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.3 tm? 85.38 -47.05 0.07 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.312 1.445 . . . . 0.0 111.129 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.27 40.18 0.94 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.059 0.457 . . . . 0.0 111.624 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.41 -13.9 31.54 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.617 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.58 168.35 19.94 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.565 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.3 mt -115.47 129.21 56.48 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.217 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -113.86 -175.19 18.97 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.002 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.403 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 84.2 m-85 -129.94 144.86 51.54 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.773 0.32 . . . . 0.0 110.671 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -148.09 151.25 37.29 Favored Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.016 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.413 ' O ' HG12 ' A' ' 84' ' ' ILE . 11.2 Cg_exo -71.51 137.91 31.42 Favored 'Trans proline' 0 C--N 1.366 1.48 0 C-N-CA 122.194 1.929 . . . . 0.0 111.443 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 93.2 p -64.8 -19.19 65.7 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.721 0.296 . . . . 0.0 111.642 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.0 p -66.61 -19.62 65.81 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 81' ' ' PRO . 29.3 pt -95.82 -1.38 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -179.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.4 m -119.63 159.05 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.452 ' HB2' HD11 ' A' ' 28' ' ' LEU . 53.5 ttt85 -125.54 110.1 13.46 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.708 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -79.19 130.9 35.95 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.3 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -130.08 -31.81 1.87 Allowed 'General case' 0 C--O 1.234 0.25 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -141.79 139.55 32.8 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.925 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.2 m -100.05 125.04 46.07 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.495 HD12 ' HB2' ' A' ' 21' ' ' PRO . 23.0 mt -86.94 -24.83 24.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.599 -178.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.412 ' HB2' ' NZ ' ' A' ' 92' ' ' LYS . 1.1 ttmp? -170.97 131.01 0.81 Allowed Pre-proline 0 N--CA 1.471 0.579 0 O-C-N 123.614 0.571 . . . . 0.0 110.09 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -54.73 133.85 59.52 Favored 'Trans proline' 0 C--N 1.368 1.598 0 C-N-CA 123.088 2.525 . . . . 0.0 114.154 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.438 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -104.07 86.8 0.53 Allowed Glycine 0 C--N 1.337 0.599 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 178.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -123.87 27.9 7.07 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 37.2 t -117.31 139.32 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -112.29 120.76 42.83 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.848 0.356 . . . . 0.0 111.129 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.72 129.82 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.159 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.471 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 7.2 mtpm? -79.56 158.74 27.08 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.394 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 58.8 p -110.9 159.38 17.75 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.717 0.294 . . . . 0.0 111.159 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -122.49 -175.45 3.14 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.754 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -15.41 61.45 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -178.448 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -83.09 -2.64 55.92 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.562 0.22 . . . . 0.0 111.106 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.71 -26.14 15.28 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.407 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -124.57 60.77 1.16 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.185 0.517 . . . . 0.0 111.364 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -151.86 131.19 12.85 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -125.92 28.95 6.01 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -177.136 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.034 179.148 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.564 0.221 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 113.15 -179.41 19.06 Favored Glycine 0 C--N 1.337 0.592 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.412 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -78.74 130.97 9.97 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 122.399 2.066 . . . . 0.0 112.156 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.412 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 3.0 ppp? -138.69 166.42 25.36 Favored Pre-proline 0 CA--C 1.547 0.849 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.616 -178.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 4' ' ' MET . 3.5 Cg_endo -44.68 147.27 1.84 Allowed 'Trans proline' 0 C--N 1.383 2.361 0 C-N-CA 123.466 2.778 . . . . 0.0 113.769 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 7' ' ' LEU . 9.7 mtmp? -75.65 -24.73 56.41 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.871 -178.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 6' ' ' LYS . 3.7 mm? 78.44 -50.92 0.48 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.466 1.106 . . . . 0.0 110.605 -177.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.4 -166.22 2.48 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.62 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -121.23 -42.19 2.48 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.477 0.18 . . . . 0.0 111.424 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.443 ' HG2' ' HG3' ' A' ' 99' ' ' LYS . 99.3 mtt180 -126.54 161.83 27.08 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.082 0.468 . . . . 0.0 111.528 -179.548 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.518 ' HB3' HD23 ' A' ' 53' ' ' LEU . 46.8 pttt -129.63 174.13 9.97 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.477 -179.072 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.445 HD11 ' HD2' ' A' ' 54' ' ' LYS . 91.8 mt -119.47 114.43 22.28 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.88 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 60.2 m -121.84 171.71 8.7 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.591 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.469 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -80.18 -42.45 23.34 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -126.06 174.25 8.6 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -67.04 -19.79 65.74 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.336 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -88.63 -19.11 26.66 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.608 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.7 t 59.1 27.04 15.88 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 124.043 0.84 . . . . 0.0 109.684 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.6 t -102.73 41.41 1.25 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-N 114.528 -1.214 . . . . 0.0 109.756 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -142.64 143.17 25.13 Favored Pre-proline 0 CA--C 1.537 0.445 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.355 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.402 ' HB2' HD12 ' A' ' 91' ' ' LEU . 35.5 Cg_endo -90.02 116.68 0.64 Allowed 'Trans proline' 0 C--N 1.365 1.424 0 C-N-CA 122.618 2.212 . . . . 0.0 111.762 179.004 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.5 mt -65.61 -65.57 0.56 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.108 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.418 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.5 m -138.54 144.56 39.97 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.026 0.441 . . . . 0.0 112.153 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -90.75 113.84 26.04 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.87 146.95 39.27 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.7 t -94.72 139.66 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.979 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.24 134.22 33.85 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mp -110.74 -0.3 17.11 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -178.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -142.82 170.39 15.79 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -96.06 137.3 35.34 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 114.262 -1.336 . . . . 0.0 109.296 177.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -150.74 143.13 24.31 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.707 0.289 . . . . 0.0 111.244 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.419 ' HA ' HG23 ' A' ' 40' ' ' THR . 97.2 mmm -113.49 142.13 46.29 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.05 178.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.62 112.46 39.92 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.99 -58.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.364 1.351 0 C-N-CA 122.589 2.193 . . . . 0.0 112.285 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -91.45 169.0 11.13 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.454 0.645 . . . . 0.0 112.497 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 38.1 t -61.03 -24.78 66.43 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 114.508 -1.224 . . . . 0.0 114.083 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.434 ' HE ' ' HB3' ' A' ' 105' ' ' PHE . 0.1 OUTLIER -102.38 15.94 27.7 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -178.418 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -109.07 162.91 13.8 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.04 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.557 ' HG ' ' HA3' ' A' ' 78' ' ' GLY . 37.9 mt -113.1 148.33 35.5 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -178.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.419 HG23 ' HA ' ' A' ' 32' ' ' MET . 61.3 m -99.57 111.59 23.92 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 177.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 64.9 mt -110.56 152.55 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.904 -178.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -118.89 150.29 40.12 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.018 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -63.21 102.21 0.37 Allowed 'General case' 0 CA--C 1.535 0.373 0 O-C-N 123.412 0.445 . . . . 0.0 110.752 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.16 16.94 9.21 Favored Glycine 0 C--N 1.341 0.839 0 CA-C-N 115.908 -0.587 . . . . 0.0 113.203 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.43 HE21 ' HA3' ' A' ' 67' ' ' GLY . 7.1 mt-30 -91.96 143.93 25.98 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.96 0.38 . . . . 0.0 111.735 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.2 t -83.1 115.86 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.557 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.7 t -120.1 132.69 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.734 0.302 . . . . 0.0 111.366 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -101.36 124.34 46.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.318 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.9 t -86.7 130.11 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.542 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -111.99 -40.94 4.09 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.699 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.413 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 62.8 p -138.01 143.87 40.8 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -122.12 113.62 19.76 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.632 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.518 HD23 ' HB3' ' A' ' 11' ' ' LYS . 71.0 mt -73.03 148.29 44.27 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.445 ' HD2' HD11 ' A' ' 12' ' ' LEU . 56.8 mtpt -123.36 168.16 12.87 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.264 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.38 -117.08 4.98 Favored Glycine 0 C--N 1.337 0.589 0 CA-C-N 116.077 -0.511 . . . . 0.0 112.737 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 83.5 mtm-85 -71.35 -31.67 67.64 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.784 0.326 . . . . 0.0 110.777 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -110.72 50.77 0.74 Allowed Glycine 0 C--N 1.334 0.448 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.833 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -68.63 -18.29 64.27 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 pp -104.32 6.53 35.32 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.691 0.282 . . . . 0.0 111.049 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -104.57 118.12 35.81 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.145 0.498 . . . . 0.0 110.932 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 36.1 m0 -109.24 179.65 4.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.168 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -160.05 156.64 27.89 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.324 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 169.8 -147.25 10.69 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.319 -0.467 . . . . 0.0 112.366 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.8 p -136.63 128.49 29.19 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.609 0.242 . . . . 0.0 110.51 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 p -88.03 126.44 41.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.227 0.537 . . . . 0.0 111.769 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -82.18 -68.84 0.66 Allowed 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.43 ' HA3' HE21 ' A' ' 45' ' ' GLN . . . 75.58 -74.86 1.48 Allowed Glycine 0 C--N 1.341 0.822 0 CA-C-N 115.827 -0.624 . . . . 0.0 113.183 178.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -135.97 -33.04 0.86 Allowed 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.651 0.265 . . . . 0.0 110.635 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 39.8 t80 56.27 87.4 0.06 Allowed 'General case' 0 N--CA 1.473 0.722 0 O-C-N 124.251 0.969 . . . . 0.0 111.176 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -116.58 -8.37 11.51 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.566 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -151.55 -110.42 0.47 Allowed Glycine 0 C--N 1.334 0.469 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.459 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -144.01 110.52 5.55 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.67 0.272 . . . . 0.0 110.639 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -143.07 -16.1 0.68 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.109 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.21 -2.5 58.42 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.617 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.11 -35.94 78.94 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.668 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -99.03 146.57 25.91 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.247 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 27.0 mt -106.4 128.03 53.73 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.654 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.557 ' HA3' ' HG ' ' A' ' 39' ' ' LEU . . . -119.58 -173.84 15.47 Favored Glycine 0 C--N 1.334 0.449 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.203 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -129.67 147.7 51.48 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.656 0.265 . . . . 0.0 111.04 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -146.86 156.5 47.78 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.529 -178.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -77.73 126.85 8.38 Favored 'Trans proline' 0 C--N 1.37 1.667 0 C-N-CA 122.6 2.2 . . . . 0.0 112.085 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.426 ' HA ' HG22 ' A' ' 85' ' ' VAL . 98.1 p -63.37 -18.66 63.91 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.159 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.1 m -62.78 -17.05 60.48 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.6 pt -107.33 -6.92 10.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.426 HG22 ' HA ' ' A' ' 82' ' ' SER . 22.9 m -105.8 161.28 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 120.644 -0.423 . . . . 0.0 111.766 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.6 ttt-85 -140.67 109.4 5.99 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.753 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -72.63 133.4 44.65 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.532 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -127.22 -34.28 2.32 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.059 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -141.15 124.35 16.47 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.9 m -88.76 126.23 35.24 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.2 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.402 HD12 ' HB2' ' A' ' 21' ' ' PRO . 13.8 mt -87.53 -42.6 12.64 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.849 -179.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -144.7 133.35 10.99 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.697 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -61.25 131.15 35.1 Favored 'Trans proline' 0 C--N 1.367 1.508 0 C-N-CA 122.644 2.229 . . . . 0.0 113.788 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.469 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -106.59 93.45 0.86 Allowed Glycine 0 C--N 1.335 0.515 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.309 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -137.36 36.12 2.5 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 81.2 t -128.06 113.67 31.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.147 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -81.19 122.68 27.69 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.4 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 23.1 t -125.98 138.4 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.912 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.443 ' HG3' ' HG2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -79.86 153.97 28.7 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.587 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 46.0 p -98.97 135.42 40.4 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.807 0.337 . . . . 0.0 111.032 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -86.7 -174.62 5.06 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.482 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -1.58 56.67 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -102.76 21.46 15.45 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.85 0.357 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -109.18 -15.21 14.35 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.644 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.434 ' HB3' ' HE ' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -151.43 47.94 0.82 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.017 0.437 . . . . 0.0 111.813 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -150.9 107.95 3.57 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.309 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 92.1 m -104.96 140.37 38.28 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.536 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.877 179.473 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 120.697 0.284 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 135.24 172.45 12.73 Favored Glycine 0 CA--C 1.522 0.47 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.44 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -81.23 111.22 2.37 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 122.498 2.132 . . . . 0.0 112.186 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -116.54 155.24 48.93 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.847 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -55.68 146.57 64.77 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 122.809 2.34 . . . . 0.0 112.962 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -61.33 136.58 58.09 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.129 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.84 -38.52 28.1 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.21 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -156.1 179.56 9.11 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.532 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -101.79 -61.23 1.41 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.029 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -118.78 150.67 39.4 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.024 0.44 . . . . 0.0 111.248 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.437 ' HB3' HD23 ' A' ' 53' ' ' LEU . 52.4 pttt -124.68 172.45 9.26 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.608 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.2 mt -116.81 113.64 22.82 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.466 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 63.2 m -117.43 176.94 4.93 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.54 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.454 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -81.56 -28.61 33.78 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -152.0 177.97 9.92 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.224 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -63.48 -20.93 66.01 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.313 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.1 mp0 -88.53 -21.54 24.06 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.887 -0.142 . . . . 0.0 111.07 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.9 t 54.77 31.73 16.08 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.771 0.796 . . . . 0.0 109.939 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.3 t -97.71 -5.13 35.82 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 114.722 -1.126 . . . . 0.0 111.205 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -102.12 149.94 37.04 Favored Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.669 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -93.2 128.97 0.72 Allowed 'Trans proline' 0 C--N 1.366 1.475 0 C-N-CA 122.861 2.374 . . . . 0.0 112.223 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.6 mt -71.85 -61.76 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.18 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.7 m -139.66 147.29 40.79 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 24.5 ttp -89.73 111.59 22.62 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.944 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.42 145.16 39.44 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.854 0.359 . . . . 0.0 111.884 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.8 t -99.5 139.09 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.363 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.71 133.48 34.01 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.184 0.303 . . . . 0.0 111.442 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.38 -14.81 19.01 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.509 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -151.68 -175.76 5.34 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.87 154.7 17.47 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.189 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -151.14 149.39 29.42 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.07 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.532 ' HA ' HG23 ' A' ' 40' ' ' THR . 67.3 mtm -125.1 140.1 53.19 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.831 0.348 . . . . 0.0 111.079 179.114 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.434 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . . . -94.5 116.15 66.07 Favored Pre-proline 0 C--O 1.236 0.343 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.543 -178.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 10.2 Cg_exo -72.31 -64.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.363 1.321 0 C-N-CA 122.342 2.028 . . . . 0.0 110.88 178.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -92.55 170.42 9.76 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.443 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.9 t -66.33 -12.53 57.17 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.79 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -83.27 -19.17 36.82 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -98.2 172.85 7.32 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.778 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.4 tp -126.17 138.96 53.7 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.743 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.532 HG23 ' HA ' ' A' ' 32' ' ' MET . 24.4 m -92.41 125.16 36.94 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.7 mt -125.25 151.64 31.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.543 -178.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -118.92 153.48 34.51 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -62.45 116.02 4.73 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.742 0.306 . . . . 0.0 111.491 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.34 2.24 44.36 Favored Glycine 0 C--N 1.339 0.703 0 C-N-CA 121.052 -0.594 . . . . 0.0 114.165 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -82.67 147.32 28.59 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 117.701 0.75 . . . . 0.0 111.677 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.1 t -85.91 105.06 14.14 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-N 115.326 -0.852 . . . . 0.0 108.787 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.447 HG22 HG12 ' A' ' 65' ' ' VAL . 11.5 t -105.41 117.68 51.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 120.968 0.413 . . . . 0.0 111.891 -178.514 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -85.53 121.91 28.9 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.873 178.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.8 t -87.44 114.76 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 O-C-N 123.371 0.419 . . . . 0.0 110.283 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -94.38 -38.39 10.99 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.104 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.4 p -141.68 148.5 39.2 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -178.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -120.76 115.76 23.92 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.348 -0.842 . . . . 0.0 108.772 178.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.437 HD23 ' HB3' ' A' ' 11' ' ' LYS . 53.5 mt -70.93 152.67 43.4 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -178.307 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -126.72 -40.43 1.91 Allowed 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.885 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.58 103.85 0.55 Allowed Glycine 0 C--N 1.341 0.845 0 O-C-N 123.496 0.498 . . . . 0.0 113.039 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 42.54 27.86 0.1 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.723 1.209 . . . . 0.0 113.349 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -160.79 52.5 0.34 Allowed Glycine 0 C--N 1.337 0.626 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.052 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -72.4 -13.76 61.54 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 111.567 0.21 . . . . 0.0 111.567 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 73.7 mt -90.86 1.28 57.1 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.499 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -112.84 124.76 53.33 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.332 0.587 . . . . 0.0 111.43 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -110.54 -174.23 2.43 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.03 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -160.24 151.02 21.53 Favored Glycine 0 C--N 1.334 0.431 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.915 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 175.02 -152.34 13.54 Favored Glycine 0 C--O 1.24 0.518 0 C-N-CA 121.389 -0.434 . . . . 0.0 112.699 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.4 t -138.69 168.8 19.0 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 123.731 0.312 . . . . 0.0 110.608 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.447 HG12 HG22 ' A' ' 47' ' ' VAL . 1.3 m -105.39 121.41 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -92.23 -26.82 18.0 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -58.13 103.01 0.29 Allowed Glycine 0 C--N 1.341 0.848 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.913 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 78.44 78.29 0.06 Allowed 'General case' 0 N--CA 1.475 0.794 0 O-C-N 125.42 1.306 . . . . 0.0 110.655 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -95.14 -83.88 0.35 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.721 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 7.5 t80 45.99 47.84 12.54 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.927 0.891 . . . . 0.0 112.857 178.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 161.31 -103.09 0.22 Allowed Glycine 0 C--N 1.336 0.546 0 C-N-CA 120.63 -0.795 . . . . 0.0 113.148 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -165.26 114.26 1.04 Allowed 'General case' 0 C--O 1.236 0.351 0 C-N-CA 122.802 0.441 . . . . 0.0 110.27 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.4 pp -159.89 6.22 0.09 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.798 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.64 -1.4 58.01 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.005 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.1 -37.15 69.6 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.982 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -78.78 98.91 6.47 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.657 0.741 . . . . 0.0 110.846 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.2 tp -91.3 132.18 36.32 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.922 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -142.66 -177.98 18.18 Favored Glycine 0 C--N 1.34 0.784 0 C-N-CA 120.276 -0.964 . . . . 0.0 113.627 -179.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -111.15 156.46 21.35 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.724 0.297 . . . . 0.0 111.347 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -154.13 156.87 32.27 Favored Pre-proline 0 CA--C 1.544 0.716 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.811 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.477 ' O ' HG12 ' A' ' 84' ' ' ILE . 8.6 Cg_exo -72.18 136.01 26.04 Favored 'Trans proline' 0 C--N 1.369 1.643 0 C-N-CA 122.239 1.96 . . . . 0.0 111.704 179.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 98.2 p -64.86 -23.93 67.38 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.585 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.6 m -66.55 -17.68 64.95 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -179.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.504 HG13 HG13 ' A' ' 85' ' ' VAL . 21.1 pt -94.18 -6.83 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 120.407 -0.517 . . . . 0.0 112.308 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.504 HG13 HG13 ' A' ' 84' ' ' ILE . 34.5 m -122.38 166.97 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.879 0.371 . . . . 0.0 111.779 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -140.56 116.81 10.62 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.55 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -77.53 128.58 34.4 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.42 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -123.35 -36.25 2.84 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.735 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.64 136.92 37.92 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -178.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.3 m -98.69 124.98 43.85 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.6 mt -86.19 -40.57 15.47 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.844 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt -154.4 134.11 7.73 Favored Pre-proline 0 CA--C 1.544 0.717 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.805 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -50.5 132.96 36.73 Favored 'Trans proline' 0 C--N 1.373 1.842 0 C-N-CA 123.118 2.545 . . . . 0.0 114.517 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.454 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -111.99 82.37 0.3 Allowed Glycine 0 C--N 1.334 0.462 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 178.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.42 36.71 4.35 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -178.084 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.0 t -126.12 115.31 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.135 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -86.17 119.92 26.97 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.268 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 26.3 t -128.86 132.74 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.117 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.29 160.75 22.84 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.793 -0.185 . . . . 0.0 110.659 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 79.6 p -103.6 139.58 38.7 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.77 0.319 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -90.32 -175.13 4.4 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.856 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -18.41 49.5 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.798 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -80.1 -4.27 52.16 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -84.65 -37.9 20.48 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.644 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -93.22 -15.13 26.24 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.525 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -89.65 94.93 10.04 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.961 0.41 . . . . 0.0 110.715 -179.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 53.7 t -103.44 107.14 17.86 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.123 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.266 -0.874 . . . . 0.0 110.928 179.687 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.9 ttp . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.68 0.276 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 128.06 176.72 14.56 Favored Glycine 0 CA--C 1.524 0.62 0 CA-C-O 119.584 -0.564 . . . . 0.0 112.612 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -78.56 121.84 5.3 Favored 'Trans proline' 0 C--N 1.362 1.247 0 C-N-CA 122.4 2.066 . . . . 0.0 112.188 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 21.0 ptm -139.72 157.65 69.5 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.706 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.68 144.02 66.66 Favored 'Trans proline' 0 C--N 1.373 1.866 0 C-N-CA 122.646 2.231 . . . . 0.0 112.675 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -70.72 139.06 51.05 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.341 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.423 HD22 HH12 ' A' ' 37' ' ' ARG . 28.9 tp -74.26 -44.1 54.27 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.979 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.442 ' HB3' HD22 ' A' ' 53' ' ' LEU . . . -144.53 174.56 10.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.525 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.435 ' HB3' ' HD2' ' A' ' 10' ' ' ARG . 23.4 t70 -109.6 -45.92 3.6 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.391 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.435 ' HD2' ' HB3' ' A' ' 9' ' ' ASP . 2.4 mpt_? -123.2 155.55 36.88 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 121.525 0.679 . . . . 0.0 111.708 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.544 ' HB3' HD23 ' A' ' 53' ' ' LEU . 44.3 pttt -131.86 169.34 16.39 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 114.52 -1.218 . . . . 0.0 109.931 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 mp -126.83 116.15 20.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.754 0.311 . . . . 0.0 110.922 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.58 ' HA ' HD11 ' A' ' 22' ' ' ILE . 37.5 m -114.56 179.09 4.05 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.388 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.442 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -80.76 -41.08 24.05 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.531 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -124.81 171.06 10.44 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.155 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -70.66 -16.34 62.8 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 120.938 0.399 . . . . 0.0 110.437 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -88.27 -19.09 27.25 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.258 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.1 t 56.06 31.57 18.36 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 124.068 0.855 . . . . 0.0 109.818 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.0 t -96.93 -7.68 32.61 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 114.593 -1.185 . . . . 0.0 111.125 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -98.01 146.46 31.53 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.739 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.432 ' HB2' HD12 ' A' ' 91' ' ' LEU . 36.2 Cg_endo -90.21 119.93 0.8 Allowed 'Trans proline' 0 C--N 1.366 1.481 0 C-N-CA 122.846 2.364 . . . . 0.0 111.859 178.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.58 HD11 ' HA ' ' A' ' 13' ' ' CYS . 50.4 mt -68.75 -66.07 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.817 -179.032 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.4 p -135.49 138.32 43.01 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -89.81 111.07 21.97 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.122 -0.945 . . . . 0.0 108.628 178.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.36 145.13 42.2 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.271 -0.422 . . . . 0.0 112.045 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.9 t -95.56 141.96 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.627 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.85 131.42 34.52 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.844 0.354 . . . . 0.0 111.297 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -92.16 -6.48 50.63 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.412 ' HA ' ' HB2' ' A' ' 43' ' ' ARG . 2.7 pt20 -166.29 -175.8 3.41 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -89.01 148.65 23.64 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.665 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -151.7 135.87 16.67 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.108 179.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.547 ' HA ' HG23 ' A' ' 40' ' ' THR . 15.5 tpt -112.46 139.44 48.03 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.269 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.97 107.56 23.72 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -77.22 -44.0 0.21 Allowed 'Trans proline' 0 C--N 1.363 1.338 0 C-N-CA 122.489 2.126 . . . . 0.0 112.404 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.19 158.05 16.84 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.596 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.5 p -59.27 -38.72 80.82 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.423 HH12 HD22 ' A' ' 7' ' ' LEU . 7.8 ppt_? -91.73 16.15 11.32 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -178.557 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -99.71 168.26 10.03 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 177.089 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.53 HD21 HG23 ' A' ' 65' ' ' VAL . 43.5 tp -124.27 133.66 53.43 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.645 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.547 HG23 ' HA ' ' A' ' 32' ' ' MET . 27.8 m -89.99 118.65 29.71 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.502 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.5 mt -122.25 152.98 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -118.72 156.77 28.73 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.934 0.397 . . . . 0.0 111.047 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.412 ' HB2' ' HA ' ' A' ' 29' ' ' GLN . 20.8 tpt180 -63.59 119.63 10.2 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.449 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.55 1.55 62.09 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 115.765 -0.652 . . . . 0.0 114.203 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -85.75 157.3 20.3 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 117.578 0.689 . . . . 0.0 111.94 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 13.9 t -93.32 126.32 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.671 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.462 HG22 HG22 ' A' ' 65' ' ' VAL . 18.1 t -125.25 123.64 65.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 120.836 0.35 . . . . 0.0 111.362 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -92.64 120.85 33.48 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.887 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.1 t -87.12 124.44 40.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.121 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -103.52 -31.15 10.09 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.813 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.455 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 73.2 p -144.45 149.72 36.48 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -124.9 114.43 19.17 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.333 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.544 HD23 ' HB3' ' A' ' 11' ' ' LYS . 27.5 mt -72.98 150.33 42.56 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.898 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -131.83 -42.25 1.02 Allowed 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.47 100.82 0.33 Allowed Glycine 0 C--N 1.336 0.572 0 O-C-N 123.428 0.455 . . . . 0.0 113.025 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 75.5 mtt85 58.84 19.09 6.65 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.579 0.751 . . . . 0.0 112.435 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.31 49.94 0.35 Allowed Glycine 0 C--N 1.336 0.565 0 C-N-CA 121.496 -0.383 . . . . 0.0 112.193 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.418 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 38.2 ptt180 -68.8 -20.86 64.34 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 64.0 mt -92.6 12.32 23.52 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.843 0.354 . . . . 0.0 110.658 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -121.83 125.73 47.15 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.063 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 47.5 m0 -113.98 -175.96 2.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.622 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -159.97 150.51 20.78 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.623 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 175.16 -150.1 10.8 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 121.435 -0.412 . . . . 0.0 112.431 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.8 t -140.59 145.85 37.24 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.586 0.231 . . . . 0.0 110.794 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.53 HG23 HD21 ' A' ' 39' ' ' LEU . 97.0 t -85.05 127.22 40.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.067 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -74.12 -78.02 0.1 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 32.84 79.27 0.02 OUTLIER Glycine 0 C--N 1.353 1.517 0 O-C-N 124.185 0.928 . . . . 0.0 113.98 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 67.88 94.11 0.07 Allowed 'General case' 0 N--CA 1.473 0.681 0 O-C-N 124.144 0.555 . . . . 0.0 110.227 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -82.07 93.15 6.94 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.432 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -109.92 -11.22 14.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.693 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.18 46.59 4.08 Favored Glycine 0 C--N 1.335 0.526 0 CA-C-N 116.038 -0.528 . . . . 0.0 113.072 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -148.12 10.66 0.9 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.591 0.234 . . . . 0.0 111.559 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.2 -19.91 1.1 Allowed 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -179.152 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.17 36.87 2.0 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.241 0.543 . . . . 0.0 110.701 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.86 -14.13 23.44 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.486 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.46 163.6 32.4 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.4 mt -119.15 128.15 54.0 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.936 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -124.04 171.14 16.3 Favored Glycine 0 C--N 1.335 0.485 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.098 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -106.53 155.23 19.82 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.915 0.388 . . . . 0.0 111.264 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -153.44 154.59 30.76 Favored Pre-proline 0 CA--C 1.541 0.631 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.642 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.444 ' O ' HG12 ' A' ' 84' ' ' ILE . 7.6 Cg_exo -73.16 135.0 22.08 Favored 'Trans proline' 0 C--N 1.369 1.606 0 C-N-CA 122.145 1.897 . . . . 0.0 111.75 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 98.7 p -64.95 -22.78 67.06 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.418 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.7 t -66.23 -21.09 66.29 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 81' ' ' PRO . 20.2 pt -92.63 -6.26 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 120.461 -0.496 . . . . 0.0 112.337 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.403 HG13 HG13 ' A' ' 84' ' ' ILE . 22.7 m -119.7 167.85 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-O 120.979 0.418 . . . . 0.0 112.027 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -140.74 116.95 10.61 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.347 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -71.51 131.46 43.32 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.406 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -121.01 -39.08 2.74 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.681 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.79 143.31 30.59 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.082 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 57.8 m -103.04 121.61 42.93 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.432 HD12 ' HB2' ' A' ' 21' ' ' PRO . 12.0 mt -86.42 -32.51 20.85 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.286 -178.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 tpmt? -153.42 131.6 6.43 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.127 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -59.55 124.62 15.86 Favored 'Trans proline' 0 C--N 1.368 1.554 0 C-N-CA 122.932 2.422 . . . . 0.0 113.867 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -98.58 91.65 1.14 Allowed Glycine 0 C--N 1.335 0.498 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 178.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -129.24 25.29 5.5 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.7 t -118.15 121.76 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -93.01 105.22 17.35 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.128 0.49 . . . . 0.0 111.605 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.534 HG12 ' H ' ' A' ' 99' ' ' LYS . 1.7 t -105.48 178.82 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.534 ' H ' HG12 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -132.94 165.97 23.45 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 118.107 0.412 . . . . 0.0 110.773 -179.863 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.5 p -93.75 169.6 10.19 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.615 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -123.86 -174.97 3.11 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.174 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -68.86 -37.77 79.31 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.83 0.452 . . . . 0.0 112.214 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 55.3 m95 -88.71 48.01 1.58 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.089 0.471 . . . . 0.0 111.963 -178.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -127.0 -19.2 4.46 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.918 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -123.51 -16.19 6.87 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -89.67 113.13 24.57 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.307 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 41.6 m -119.69 32.68 5.95 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.357 -0.83 . . . . 0.0 110.658 -179.905 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ptt? . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.751 0.31 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.03 177.13 14.79 Favored Glycine 0 CA--C 1.523 0.547 0 CA-C-O 119.368 -0.685 . . . . 0.0 112.538 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -66.14 149.62 85.54 Favored 'Trans proline' 0 C--N 1.364 1.344 0 C-N-CA 122.459 2.106 . . . . 0.0 112.182 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.548 ' HE1' ' HG2' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -156.12 166.01 17.34 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.502 -178.678 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -50.87 158.74 2.83 Favored 'Trans proline' 0 C--N 1.38 2.214 0 C-N-CA 122.403 2.068 . . . . 0.0 112.696 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -29.55 70.62 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.575 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.9 tp 75.44 -34.39 0.25 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.975 0.91 . . . . 0.0 111.829 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -156.85 -166.71 2.17 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 122.938 0.495 . . . . 0.0 110.193 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -129.68 -53.52 1.15 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.53 0.205 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.493 ' HG2' ' HG2' ' A' ' 99' ' ' LYS . 40.0 mtp85 -124.46 163.39 21.93 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.142 -179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.469 ' HD3' HG22 ' A' ' 100' ' ' THR . 34.2 pttt -132.92 167.31 20.47 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.197 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -111.39 119.29 38.33 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.321 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.568 ' HA ' HD11 ' A' ' 22' ' ' ILE . 79.6 m -121.92 171.42 8.93 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.838 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.541 ' HB1' ' HG2' ' A' ' 92' ' ' LYS . . . -87.44 -33.16 19.15 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.15 178.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.06 171.16 14.36 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.393 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -68.24 -18.15 64.49 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.145 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.5 mp0 -89.32 -15.92 32.29 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.728 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 90.4 m 57.06 28.08 14.34 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.459 0.647 . . . . 0.0 110.178 -178.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.4 t -96.75 -8.09 32.18 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.355 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -98.82 148.7 34.92 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.748 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.472 ' HB2' HD12 ' A' ' 91' ' ' LEU . 38.4 Cg_endo -91.65 118.76 0.52 Allowed 'Trans proline' 0 C--N 1.367 1.534 0 C-N-CA 122.92 2.414 . . . . 0.0 111.588 178.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.568 HD11 ' HA ' ' A' ' 13' ' ' CYS . 5.3 mp -67.7 -64.88 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.136 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.292 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 p -133.03 144.11 49.84 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.6 ttp -98.58 122.93 42.4 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 114.788 -1.096 . . . . 0.0 109.167 179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.482 ' HB2' ' CD ' ' A' ' 87' ' ' GLU . . . -120.44 158.72 26.61 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.5 t -109.26 135.47 48.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.719 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.0 139.17 38.26 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.907 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' A' ' 86' ' ' ARG . 3.7 mm? -100.35 -22.36 15.1 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.316 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -150.2 178.81 8.64 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -83.25 153.28 24.77 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.304 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -151.37 108.75 3.6 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.433 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -92.72 119.5 32.16 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.446 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . . . -73.4 116.86 55.39 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.055 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 2.8 Cg_exo -76.44 -61.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.363 1.293 0 C-N-CA 122.419 2.079 . . . . 0.0 111.846 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -91.44 165.1 13.56 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.245 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 29.5 t -57.82 -36.15 71.84 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 114.888 -1.051 . . . . 0.0 113.353 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.548 ' HG2' ' HE1' ' A' ' 4' ' ' MET . 0.2 OUTLIER -67.87 -18.45 64.81 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -178.042 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -94.2 163.85 13.28 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 117.888 0.313 . . . . 0.0 111.472 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.6 142.51 50.04 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.793 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 35.8 m -89.94 126.2 35.65 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.995 0.426 . . . . 0.0 110.802 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.0 mt -125.36 143.32 39.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.614 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -104.27 161.91 13.65 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.108 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -66.17 115.95 6.72 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.794 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.55 9.85 59.74 Favored Glycine 0 C--N 1.337 0.588 0 C-N-CA 121.034 -0.603 . . . . 0.0 113.575 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -82.29 143.21 31.47 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 117.153 0.476 . . . . 0.0 111.44 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 t -82.88 123.38 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.445 HG22 HG23 ' A' ' 65' ' ' VAL . 9.2 t -123.95 123.03 65.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 120.772 0.32 . . . . 0.0 111.429 -179.125 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -91.22 125.57 36.03 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.983 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.4 t -90.57 123.69 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.529 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -105.82 -20.5 13.42 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.879 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.426 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 72.6 p -158.08 138.93 13.06 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -116.3 111.11 19.64 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.627 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.438 HD23 ' HB3' ' A' ' 11' ' ' LYS . 36.7 mt -73.35 145.35 46.01 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 58' ' ' ARG . 55.9 mtmt -133.27 174.51 10.31 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.517 179.322 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.18 -104.39 3.17 Favored Glycine 0 C--N 1.337 0.589 0 C-N-CA 121.201 -0.523 . . . . 0.0 113.013 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.3 mmm-85 -75.55 -19.74 59.12 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 122.291 0.237 . . . . 0.0 111.234 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -145.54 68.84 0.4 Allowed Glycine 0 C--N 1.334 0.426 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.033 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.478 ' HA ' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -73.01 -5.49 39.16 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.798 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.0 mp -100.62 -6.74 24.8 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.604 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -97.15 128.44 44.06 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.382 0.61 . . . . 0.0 111.782 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 34.3 m0 -115.36 -179.27 3.59 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.162 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.26 156.59 28.05 Favored Glycine 0 C--N 1.333 0.414 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.693 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.62 -145.15 10.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.481 -0.39 . . . . 0.0 112.382 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.4 t -132.37 152.35 51.48 Favored 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.445 HG23 HG22 ' A' ' 47' ' ' VAL . 7.2 p -105.19 128.32 59.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 121.333 0.587 . . . . 0.0 111.616 -179.627 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -99.61 148.02 24.76 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.225 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 161.66 -50.19 0.34 Allowed Glycine 0 C--N 1.334 0.428 0 C-N-CA 121.242 -0.504 . . . . 0.0 112.125 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -125.06 128.79 49.06 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -135.26 90.9 2.67 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.026 0.441 . . . . 0.0 110.554 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -120.83 -14.6 8.49 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.955 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -160.75 -113.02 0.3 Allowed Glycine 0 C--N 1.333 0.388 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.476 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -121.69 114.23 20.84 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.659 0.266 . . . . 0.0 110.785 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.17 -24.65 0.25 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.183 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.6 -3.49 46.28 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.346 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.46 -38.3 71.3 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.687 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -89.43 151.38 22.05 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.385 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.0 mt -116.01 134.39 55.01 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.422 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -122.71 178.54 16.35 Favored Glycine 0 C--N 1.334 0.431 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.993 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.433 ' HD2' ' HD3' ' A' ' 37' ' ' ARG . 31.9 m-85 -119.18 147.57 44.06 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.778 0.323 . . . . 0.0 110.949 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -147.13 152.64 43.71 Favored Pre-proline 0 CA--C 1.54 0.579 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.975 -178.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -77.19 137.24 16.88 Favored 'Trans proline' 0 C--N 1.366 1.469 0 C-N-CA 122.457 2.105 . . . . 0.0 112.002 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 95.8 p -65.12 -19.69 66.11 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.535 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.3 t -66.24 -22.31 66.32 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.2 pt -95.52 -0.83 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.2 m -121.93 155.81 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.468 ' HB2' HD21 ' A' ' 28' ' ' LEU . 25.1 ttt85 -126.53 117.94 23.88 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.793 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.482 ' CD ' ' HB2' ' A' ' 25' ' ' ALA . 55.6 mm-40 -88.29 129.02 35.49 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.227 -179.138 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -138.35 -23.77 0.98 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.57 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -123.68 140.44 52.99 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.747 -178.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.0 m -122.17 114.53 20.99 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.472 HD12 ' HB2' ' A' ' 21' ' ' PRO . 10.9 mt -86.51 -13.82 44.87 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -176.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.541 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 1.9 tpmt? -172.55 135.01 0.77 Allowed Pre-proline 0 N--CA 1.477 0.877 0 O-C-N 123.346 0.404 . . . . 0.0 110.792 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.418 ' HD2' ' HG3' ' A' ' 92' ' ' LYS . 72.0 Cg_exo -56.83 127.88 27.65 Favored 'Trans proline' 0 C--N 1.368 1.586 0 C-N-CA 123.105 2.536 . . . . 0.0 113.441 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -101.72 77.79 0.37 Allowed Glycine 0 C--N 1.333 0.415 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.93 27.27 7.77 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -178.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.6 t -126.35 102.79 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -84.36 128.53 34.63 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.647 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 25.5 t -127.75 145.98 34.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.256 179.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.493 ' HG2' ' HG2' ' A' ' 10' ' ' ARG . 55.6 mtpt -80.63 161.11 24.84 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.47 0.176 . . . . 0.0 110.999 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.469 HG22 ' HD3' ' A' ' 11' ' ' LYS . 44.0 p -101.39 141.83 33.68 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -95.9 -179.6 4.76 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.334 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -18.61 58.59 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.176 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -81.46 -4.05 54.77 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -81.46 -26.54 35.2 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.18 58.03 1.64 Allowed 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.213 0.53 . . . . 0.0 111.935 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -151.16 104.65 3.14 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.215 179.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 98.5 m -105.96 150.14 25.96 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.568 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.255 -0.878 . . . . 0.0 111.166 -179.848 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.715 0.293 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 142.12 168.88 11.87 Favored Glycine 0 C--N 1.333 0.389 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.409 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -90.21 60.52 1.72 Allowed 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 123.109 2.539 . . . . 0.0 112.961 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.612 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -81.94 172.9 8.55 Favored Pre-proline 0 CA--C 1.562 1.431 0 CA-C-O 118.803 -0.618 . . . . 0.0 109.545 179.349 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.612 ' HD2' ' HB2' ' A' ' 4' ' ' MET . 17.7 Cg_endo -59.74 157.29 33.44 Favored 'Trans proline' 0 C--N 1.377 2.034 0 C-N-CA 122.889 2.393 . . . . 0.0 115.181 -177.384 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -90.31 -179.88 5.73 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.842 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.5 HD21 ' NH1' ' A' ' 37' ' ' ARG . 2.7 mm? -109.73 -45.74 3.61 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.007 179.053 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -135.92 -171.44 2.86 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.2 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 42.1 p-10 -124.36 -26.19 3.97 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.489 ' HE ' ' HE2' ' A' ' 99' ' ' LYS . 74.5 mtt85 -135.71 156.89 48.12 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.962 0.411 . . . . 0.0 111.191 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.449 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 38.0 pttt -137.41 177.39 7.9 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.61 -178.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' A' ' 51' ' ' SER . 3.9 mm? -118.7 113.25 20.88 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.36 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 85.1 m -117.17 176.23 5.23 Favored 'General case' 0 C--O 1.232 0.18 0 O-C-N 123.614 0.571 . . . . 0.0 110.265 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.442 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -83.43 -23.15 32.42 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.286 178.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -150.31 172.24 15.69 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.333 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -66.12 -17.87 64.99 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -91.8 -15.46 28.23 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.9 m 56.63 28.68 14.41 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.461 0.648 . . . . 0.0 110.127 -178.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.2 t -94.77 -7.96 38.92 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.411 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -100.76 148.05 34.49 Favored Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.443 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -93.5 130.19 0.74 Allowed 'Trans proline' 0 C--N 1.365 1.401 0 C-N-CA 122.852 2.368 . . . . 0.0 112.351 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.3 mt -74.49 -62.56 1.27 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.163 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.144 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.9 t -139.97 146.03 38.62 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.053 0.454 . . . . 0.0 111.957 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -93.64 126.12 38.64 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -127.34 150.68 49.49 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -178.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.8 t -102.52 135.28 40.44 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.153 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.99 130.31 37.31 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 86' ' ' ARG . 2.9 mm? -90.44 -27.26 19.39 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -147.87 176.96 9.72 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -79.01 150.97 31.79 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.341 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -151.43 136.05 17.08 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.415 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.0 mmm -115.39 137.13 52.37 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.235 0.334 . . . . 0.0 110.68 179.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.439 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . . . -94.51 118.54 66.93 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.342 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 4.7 Cg_exo -75.15 -67.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.363 1.325 0 C-N-CA 122.494 2.13 . . . . 0.0 111.489 179.17 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.0 170.5 9.61 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.66 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.9 t -64.73 -9.94 23.81 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -178.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.5 ' NH1' HD21 ' A' ' 7' ' ' LEU . 28.4 mtm105 -80.05 -25.91 39.94 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -95.93 164.49 12.7 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.937 0.399 . . . . 0.0 111.931 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.1 tp -120.34 138.72 53.57 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.741 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 41.3 m -88.29 121.82 31.12 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.9 mt -127.04 127.12 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.986 -178.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.438 ' H ' ' CD ' ' A' ' 45' ' ' GLN . 79.7 m-70 -88.96 159.26 17.73 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 177.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -63.14 117.14 6.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.694 -178.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.37 3.41 53.64 Favored Glycine 0 C--N 1.342 0.878 0 C-N-CA 120.965 -0.636 . . . . 0.0 114.312 179.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.438 ' CD ' ' H ' ' A' ' 42' ' ' HIS . 79.5 mt-30 -76.34 145.28 39.61 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 117.842 0.821 . . . . 0.0 111.783 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.8 t -88.23 103.08 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.8 t -110.28 126.94 67.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.852 0.358 . . . . 0.0 111.546 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -96.39 127.89 42.81 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.401 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.7 t -87.42 136.56 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.247 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -118.15 -31.17 5.1 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 112.126 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.449 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 37.4 p -148.32 147.68 29.57 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.323 0.861 . . . . 0.0 113.323 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -121.95 121.47 37.16 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.24 -0.891 . . . . 0.0 108.844 178.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.7 mt -66.18 150.29 48.99 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -89.01 -97.26 0.09 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.768 -179.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.57 154.5 45.69 Favored Glycine 0 C--N 1.344 0.985 0 C-N-CA 121.232 -0.508 . . . . 0.0 112.689 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? 74.9 -58.26 0.58 Allowed 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.565 1.146 . . . . 0.0 111.714 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.0 -55.55 7.9 Favored Glycine 0 C--N 1.338 0.643 0 CA-C-O 119.755 -0.47 . . . . 0.0 112.607 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 58.57 -77.37 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.277 1.031 . . . . 0.0 112.257 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.1 pp -86.57 -0.26 55.78 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.286 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -88.34 115.31 25.76 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.168 0.509 . . . . 0.0 110.631 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 42.2 m0 -107.79 -171.32 1.85 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.126 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -169.55 165.09 38.55 Favored Glycine 0 C--N 1.336 0.529 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.776 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 164.65 -144.89 9.75 Favored Glycine 0 C--N 1.337 0.617 0 N-CA-C 112.136 -0.386 . . . . 0.0 112.136 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 94.1 p -134.9 155.18 51.15 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.9 p -107.47 132.9 53.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-O 121.339 0.59 . . . . 0.0 111.977 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -105.45 136.32 45.23 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.136 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 157.38 -31.13 0.53 Allowed Glycine 0 C--N 1.334 0.448 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.445 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.7 124.77 14.43 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.961 0.41 . . . . 0.0 111.229 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -125.49 102.75 7.53 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.727 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -110.79 -5.3 14.98 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.872 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 153.1 -86.89 0.13 Allowed Glycine 0 C--N 1.334 0.434 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.035 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -105.69 91.14 3.63 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.964 0.411 . . . . 0.0 110.36 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -134.08 -57.03 0.87 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.242 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.33 -7.98 55.85 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.412 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.32 -35.55 76.07 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.684 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -95.07 151.92 18.78 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.459 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 69.6 mt -115.35 125.1 52.8 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.214 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -112.01 -173.8 19.44 Favored Glycine 0 C--N 1.333 0.399 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.747 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -129.54 148.22 51.42 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.807 0.337 . . . . 0.0 110.72 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -151.05 154.86 34.64 Favored Pre-proline 0 CA--C 1.541 0.596 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.041 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -74.33 137.05 22.8 Favored 'Trans proline' 0 C--N 1.368 1.56 0 C-N-CA 122.315 2.01 . . . . 0.0 111.554 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.1 p -63.92 -20.85 66.16 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.414 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.2 p -65.9 -25.11 67.01 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.0 pt -92.69 -1.34 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.0 m -123.86 145.63 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 121.024 0.44 . . . . 0.0 112.051 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.67 ' HB2' HD21 ' A' ' 28' ' ' LEU . 78.7 ttt180 -117.18 108.16 15.33 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.964 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -80.92 103.23 10.61 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.456 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -94.22 -28.39 15.65 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.307 -178.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.8 129.8 18.42 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.364 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.5 m -90.77 124.62 35.27 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.6 mt -85.68 -38.94 17.78 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.875 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -155.43 135.07 8.04 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -53.48 132.82 50.62 Favored 'Trans proline' 0 C--N 1.371 1.72 0 C-N-CA 123.38 2.72 . . . . 0.0 114.508 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -112.78 76.72 0.23 Allowed Glycine 0 C--N 1.335 0.496 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 178.565 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -122.41 31.26 6.19 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.9 t -119.94 117.34 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.473 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -79.87 119.02 22.17 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.965 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.6 t -121.45 129.41 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.489 ' HE2' ' HE ' ' A' ' 10' ' ' ARG . 94.1 mttt -79.17 159.95 27.18 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.187 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 62.5 p -98.57 156.18 16.92 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.627 0.251 . . . . 0.0 110.795 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -111.52 -172.31 2.01 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.016 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.26 -42.35 65.71 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.466 -179.427 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -86.75 47.58 1.51 Allowed 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.702 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.28 -31.45 3.05 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -114.32 -0.32 13.88 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.272 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -89.51 117.97 28.81 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.271 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 48.8 t -121.62 143.4 49.34 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.989 -179.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.731 179.553 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.382 0 CA-C-O 119.652 -0.527 . . . . 0.0 112.397 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -85.64 122.14 2.3 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.746 2.298 . . . . 0.0 113.132 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.403 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 34.7 mtm -118.28 160.06 40.95 Favored Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.645 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 4' ' ' MET . 27.8 Cg_endo -61.59 125.3 16.43 Favored 'Trans proline' 0 C--N 1.37 1.684 0 C-N-CA 121.765 1.644 . . . . 0.0 111.35 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -51.67 136.48 27.0 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.182 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.34 -31.38 69.79 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.588 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -152.05 -175.79 5.39 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.185 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -114.26 -45.81 3.02 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.391 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -125.99 156.57 39.63 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.124 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.629 ' HB3' HD23 ' A' ' 53' ' ' LEU . 39.3 pttt -134.64 177.76 7.53 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.49 -179.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.5 mt -121.03 138.72 54.04 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.207 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.416 ' HA ' HD11 ' A' ' 22' ' ' ILE . 78.3 m -140.46 172.83 12.17 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.491 0.495 . . . . 0.0 110.7 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.558 ' HB1' ' HE2' ' A' ' 92' ' ' LYS . . . -79.04 -31.9 44.75 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.885 0.374 . . . . 0.0 110.153 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -137.12 169.89 17.02 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.903 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -69.33 -12.64 61.84 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.393 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -90.09 -19.25 24.55 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.539 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.7 m 57.78 28.72 16.34 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 121.481 0.658 . . . . 0.0 110.23 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.6 t -94.65 -8.23 38.55 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.258 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -102.31 151.4 38.13 Favored Pre-proline 0 CA--C 1.536 0.427 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.175 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -91.33 120.43 0.63 Allowed 'Trans proline' 0 C--N 1.368 1.554 0 C-N-CA 122.876 2.384 . . . . 0.0 111.928 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.416 HD11 ' HA ' ' A' ' 13' ' ' CYS . 59.8 mt -63.93 -62.12 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.026 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.0 m -141.51 145.26 34.95 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.229 0.537 . . . . 0.0 112.306 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -88.71 121.56 31.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 114.9 -1.045 . . . . 0.0 108.676 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.566 ' HB2' ' HG2' ' A' ' 87' ' ' GLU . . . -122.07 150.86 41.54 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -178.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.4 t -104.0 141.94 18.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.269 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.15 132.62 35.08 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.221 0.326 . . . . 0.0 111.628 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.2 mp -102.73 -16.51 15.96 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -151.77 -179.86 7.81 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -88.0 152.44 22.04 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.018 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -151.35 134.74 16.12 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.142 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 64.1 mtt -109.39 133.44 53.06 Favored 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.27 0.356 . . . . 0.0 110.379 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.34 110.14 31.4 Favored Pre-proline 0 CA--C 1.537 0.47 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -78.46 -56.43 0.04 OUTLIER 'Trans proline' 0 C--N 1.364 1.37 0 C-N-CA 122.679 2.253 . . . . 0.0 112.288 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -91.26 167.06 12.59 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.486 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.1 t -58.28 -40.35 81.69 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.974 -1.012 . . . . 0.0 113.232 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.429 ' HB3' HH11 ' A' ' 37' ' ' ARG . 0.0 OUTLIER -79.78 2.71 21.93 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -178.163 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -100.9 155.84 17.72 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 117.744 0.247 . . . . 0.0 110.902 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.464 HD13 HG23 ' A' ' 65' ' ' VAL . 5.6 mt -117.57 140.62 49.38 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.6 m -89.59 122.16 32.47 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 76.9 mt -128.62 122.82 58.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.425 ' H ' ' CD ' ' A' ' 45' ' ' GLN . 78.3 m-70 -89.26 160.76 16.76 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.222 178.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 70.2 ttt-85 -63.97 117.23 6.73 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.348 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.45 0.16 46.73 Favored Glycine 0 C--N 1.339 0.696 0 C-N-CA 120.855 -0.688 . . . . 0.0 114.194 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.425 ' CD ' ' H ' ' A' ' 42' ' ' HIS . 25.9 mt-30 -75.72 151.95 37.56 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 117.759 0.779 . . . . 0.0 111.867 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.1 t -90.66 115.08 29.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.996 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.9 t -124.05 124.9 69.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-O 120.891 0.377 . . . . 0.0 111.824 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -94.61 127.62 40.69 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.265 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.9 t -89.1 121.42 39.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.161 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -100.57 -34.44 9.9 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.764 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.7 p -145.49 145.24 30.99 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -117.78 117.97 30.78 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.398 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.629 HD23 ' HB3' ' A' ' 11' ' ' LYS . 33.2 mt -79.35 141.54 36.85 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.047 0.217 . . . . 0.0 111.433 -178.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 58' ' ' ARG . 9.1 mtpm? -133.88 175.68 9.25 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.47 -98.5 2.45 Favored Glycine 0 C--N 1.335 0.528 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.964 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 73.0 mmt-85 -79.35 -21.17 46.17 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 122.236 0.215 . . . . 0.0 111.456 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -144.43 67.66 0.43 Allowed Glycine 0 C--N 1.334 0.459 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.234 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -72.41 -7.65 50.89 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.809 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.2 mp -96.32 -7.64 34.77 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.812 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -102.07 133.52 46.77 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.401 0.619 . . . . 0.0 111.88 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 31.7 m0 -118.8 -175.91 2.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.731 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -160.58 159.87 31.31 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 121.188 -0.529 . . . . 0.0 112.305 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.38 -153.04 23.35 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 121.283 -0.484 . . . . 0.0 112.397 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.6 t -127.06 159.88 32.84 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 122.258 0.223 . . . . 0.0 110.586 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.464 HG23 HD13 ' A' ' 39' ' ' LEU . 43.9 t -111.89 122.47 66.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.264 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 . . . . . 0 C--O 1.235 0.313 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.416 179.116 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.442 0 CA-C-O 120.81 0.338 . . . . 0.0 111.668 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -165.67 -17.26 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.553 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -110.45 -8.12 14.7 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.5 mt 60.1 176.47 0.09 Allowed 'General case' 0 N--CA 1.478 0.953 0 O-C-N 124.058 0.849 . . . . 0.0 112.713 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -169.51 -174.94 38.31 Favored Glycine 0 C--N 1.336 0.551 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.897 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -126.74 151.94 47.52 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.945 0.372 . . . . 0.0 111.196 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -154.97 150.84 21.89 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.918 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.45 ' O ' HG12 ' A' ' 84' ' ' ILE . 9.2 Cg_exo -72.73 142.4 35.65 Favored 'Trans proline' 0 C--N 1.367 1.51 0 C-N-CA 122.505 2.136 . . . . 0.0 111.983 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 97.2 p -64.33 -26.36 68.44 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.646 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.3 p -66.15 -16.18 63.75 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.529 HG13 HG13 ' A' ' 85' ' ' VAL . 22.6 pt -96.69 -4.77 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.529 HG13 HG13 ' A' ' 84' ' ' ILE . 34.0 m -127.16 163.92 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-O 121.05 0.452 . . . . 0.0 112.055 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.5 ttt180 -135.83 116.06 13.48 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.891 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.566 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 52.0 mt-10 -89.25 123.92 33.91 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.038 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -126.47 -25.96 3.37 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.613 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -121.83 127.01 50.08 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.409 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.7 m -108.8 118.93 38.06 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.2 mt -85.49 -23.74 27.65 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -177.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.558 ' HE2' ' HB1' ' A' ' 14' ' ' ALA . 11.5 mtpt -166.08 142.31 4.17 Favored Pre-proline 0 N--CA 1.476 0.834 0 O-C-N 123.737 0.648 . . . . 0.0 111.411 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -61.5 130.61 32.41 Favored 'Trans proline' 0 C--N 1.37 1.708 0 C-N-CA 122.97 2.447 . . . . 0.0 113.548 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -98.6 77.82 0.56 Allowed Glycine 0 C--N 1.333 0.39 0 N-CA-C 110.466 -1.054 . . . . 0.0 110.466 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.7 pttt -122.41 33.47 5.44 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -177.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 53.1 t -121.73 110.53 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -81.86 115.12 20.91 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.325 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 25.1 t -123.35 122.97 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.032 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.53 166.87 20.76 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.081 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.7 p -97.52 162.94 13.07 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -121.72 -167.77 1.58 Allowed 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.841 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -42.6 88.12 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.444 0.698 . . . . 0.0 112.698 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -72.01 -16.12 62.06 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -79.15 147.98 32.5 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 60.07 41.39 17.28 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.705 0.628 . . . . 0.0 110.566 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 16.8 t80 . . . . . 0 N--CA 1.467 0.394 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.093 -179.416 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.293 0 CA-C-O 119.629 -0.539 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -82.1 101.97 1.18 Allowed 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 122.412 2.075 . . . . 0.0 112.248 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -113.03 159.92 32.88 Favored Pre-proline 0 CA--C 1.541 0.627 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.232 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -49.26 151.19 6.73 Favored 'Trans proline' 0 C--N 1.375 1.956 0 C-N-CA 123.218 2.612 . . . . 0.0 113.913 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -69.76 169.65 12.53 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.776 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.3 tp -118.76 -32.14 4.61 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.475 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -150.36 170.54 18.8 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.42 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -109.31 -41.56 4.61 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.94 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -134.78 162.13 33.24 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.638 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.456 ' HB3' HD23 ' A' ' 53' ' ' LEU . 36.8 pttt -137.97 170.09 16.64 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.19 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.0 mt -118.31 111.97 19.44 Favored 'General case' 0 CA--C 1.523 -0.086 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.388 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 64.7 m -108.8 178.14 4.56 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.809 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.533 ' HB1' ' HG2' ' A' ' 92' ' ' LYS . . . -88.68 -22.27 23.49 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.18 178.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -146.86 172.44 13.66 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.679 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -65.84 -26.33 67.61 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.972 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.11 -11.77 43.01 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 80.9 m 56.39 28.94 14.31 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.345 0.593 . . . . 0.0 110.119 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.4 t -97.43 0.57 47.94 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.683 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -105.54 146.86 33.63 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.711 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.403 ' HB2' HD12 ' A' ' 91' ' ' LEU . 36.0 Cg_endo -90.26 114.08 0.5 Allowed 'Trans proline' 0 C--N 1.365 1.435 0 C-N-CA 122.788 2.325 . . . . 0.0 111.613 178.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.8 mt -62.07 -59.53 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.4 t -136.76 171.35 14.62 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.239 0.542 . . . . 0.0 111.691 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 19.9 ttp -118.48 100.86 7.73 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.09 143.57 29.21 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.8 t -98.67 139.32 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.316 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.04 132.57 35.12 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.172 0.295 . . . . 0.0 111.261 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -97.25 -19.55 18.5 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -148.91 -177.3 5.73 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -90.49 148.28 22.84 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.889 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -151.41 134.95 16.22 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.791 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.503 ' HA ' HG23 ' A' ' 40' ' ' THR . 53.1 tpp -110.79 135.16 51.77 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.446 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . . . -78.51 114.99 47.96 Favored Pre-proline 0 CA--C 1.537 0.459 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -179.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 4.4 Cg_exo -77.43 -58.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.365 1.438 0 C-N-CA 122.473 2.116 . . . . 0.0 112.366 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -91.54 169.09 11.04 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.127 0.489 . . . . 0.0 112.015 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.1 t -63.25 -24.82 68.04 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -96.86 14.63 24.63 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -109.65 162.34 14.52 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.243 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.0 mt -113.92 145.33 41.66 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.503 HG23 ' HA ' ' A' ' 32' ' ' MET . 37.0 m -97.47 112.12 24.1 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 177.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.0 mt -113.88 147.83 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.6 -177.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -112.29 154.92 24.92 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.944 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -64.44 117.28 7.08 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.502 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.32 -2.64 50.49 Favored Glycine 0 C--N 1.339 0.709 0 C-N-CA 120.921 -0.657 . . . . 0.0 114.243 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -80.23 155.46 27.34 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 117.543 0.672 . . . . 0.0 111.631 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.1 t -95.08 117.45 38.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.035 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.569 HG22 HG13 ' A' ' 65' ' ' VAL . 21.5 t -114.9 124.29 71.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.092 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -91.52 121.49 33.26 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.444 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.3 t -88.22 122.76 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.074 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -101.61 -26.06 13.66 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 77.3 p -153.06 160.41 42.94 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -126.64 112.92 16.04 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.456 HD23 ' HB3' ' A' ' 11' ' ' LYS . 56.5 mt -69.79 153.3 43.53 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -178.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -133.4 154.93 50.34 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.534 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.74 110.57 0.14 Allowed Glycine 0 C--N 1.338 0.644 0 C-N-CA 121.311 -0.471 . . . . 0.0 112.926 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.0 mtp-105 71.17 -64.66 0.37 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.728 1.211 . . . . 0.0 111.59 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -103.96 44.97 1.38 Allowed Glycine 0 N--CA 1.451 -0.314 0 N-CA-C 111.684 -0.566 . . . . 0.0 111.684 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.8 ptt-85 -69.41 -11.27 60.68 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.3 mt -91.49 11.35 24.33 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.667 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -115.65 129.2 56.41 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.094 0.473 . . . . 0.0 111.313 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 38.0 m0 -111.16 138.46 47.57 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.802 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -102.24 159.6 17.86 Favored Glycine 0 C--N 1.33 0.202 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.152 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 159.44 -157.11 28.26 Favored Glycine 0 C--N 1.334 0.447 0 C-N-CA 121.375 -0.441 . . . . 0.0 112.48 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.4 p -130.06 157.67 41.74 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 122.179 0.192 . . . . 0.0 110.565 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.569 HG13 HG22 ' A' ' 47' ' ' VAL . 38.6 t -110.01 122.31 64.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.96 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 . . . . . 0 C--O 1.233 0.236 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.432 179.206 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.376 0 CA-C-O 121.041 0.448 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.89 -40.15 0.1 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.192 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.71 8.57 5.35 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.981 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 57.6 mt 61.73 169.33 0.11 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.826 0.85 . . . . 0.0 113.245 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -162.91 -175.39 33.89 Favored Glycine 0 C--N 1.336 0.555 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.747 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -123.67 154.2 39.71 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.974 0.387 . . . . 0.0 111.299 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -154.47 150.38 21.88 Favored Pre-proline 0 CA--C 1.542 0.647 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.904 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.83 132.47 17.13 Favored 'Trans proline' 0 C--N 1.365 1.4 0 C-N-CA 122.217 1.944 . . . . 0.0 111.494 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 90.0 p -64.97 -18.7 65.5 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.596 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.6 p -65.94 -23.1 66.54 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 32.8 pt -95.94 -2.44 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 26.7 m -125.24 164.66 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 120.628 0.251 . . . . 0.0 111.586 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 64.1 ttt-85 -136.05 113.08 10.39 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.226 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -73.02 137.31 45.3 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.179 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -147.95 -41.92 0.17 Allowed 'General case' 0 C--O 1.234 0.25 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 -115.76 107.8 15.52 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.4 m -81.82 113.69 19.94 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.721 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.403 HD12 ' HB2' ' A' ' 21' ' ' PRO . 12.6 mt -86.1 -12.97 48.65 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.593 -178.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.533 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -171.28 130.9 0.77 Allowed Pre-proline 0 CA--C 1.543 0.683 0 O-C-N 123.745 0.653 . . . . 0.0 110.459 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -53.76 130.39 38.78 Favored 'Trans proline' 0 C--N 1.369 1.65 0 C-N-CA 122.549 2.166 . . . . 0.0 113.09 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -108.65 94.31 0.84 Allowed Glycine 0 C--N 1.335 0.523 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.8 ptpp? -142.97 33.3 1.37 Allowed 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.3 t -116.64 132.32 66.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.912 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -98.91 117.83 34.29 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.87 0.367 . . . . 0.0 111.537 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 39.0 t -126.66 128.39 71.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.063 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -78.11 161.42 27.41 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.615 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.8 p -81.07 172.01 14.24 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.639 0.256 . . . . 0.0 111.207 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.59 -177.8 3.24 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.517 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -74.6 -40.37 61.61 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.409 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 62.5 m95 -76.71 -2.83 34.92 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.467 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -79.45 149.91 31.42 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 58.82 25.8 13.99 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.615 0.766 . . . . 0.0 111.102 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 15.8 t80 . . . . . 0 N--CA 1.465 0.325 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.423 -179.66 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.625 0 CA-C-O 119.691 -0.505 . . . . 0.0 112.703 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -80.85 105.61 1.7 Allowed 'Trans proline' 0 C--N 1.363 1.306 0 C-N-CA 122.544 2.163 . . . . 0.0 111.933 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 42.8 mtm -117.11 166.07 13.93 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.463 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.72 154.0 22.29 Favored 'Trans proline' 0 C--N 1.378 2.109 0 C-N-CA 122.464 2.109 . . . . 0.0 112.554 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -74.28 171.93 12.75 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.476 0.655 . . . . 0.0 112.117 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.462 ' HB3' ' HZ ' ' A' ' 105' ' ' PHE . 4.8 tp -127.79 -31.89 2.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.22 -178.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.23 -176.38 4.59 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.621 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -124.74 -42.38 2.07 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 65.3 mtt85 -134.87 157.51 46.63 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.655 0.264 . . . . 0.0 111.193 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.609 ' HB3' HD23 ' A' ' 53' ' ' LEU . 21.4 pttm -138.02 165.37 26.74 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.641 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.5 mt -111.77 110.13 20.33 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.759 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 62.0 m -106.49 175.89 5.35 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 123.567 0.542 . . . . 0.0 111.045 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.459 ' HB1' ' HG2' ' A' ' 92' ' ' LYS . . . -89.8 -26.42 20.58 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.414 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -136.55 169.99 16.79 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.19 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -67.91 -22.14 65.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.178 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -89.36 -13.96 36.69 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.503 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.1 m 58.72 26.06 14.15 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.617 0.722 . . . . 0.0 109.964 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.3 t -101.39 0.09 36.37 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 114.792 -1.094 . . . . 0.0 111.035 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -101.79 145.94 31.37 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.629 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.457 ' HB2' HD12 ' A' ' 91' ' ' LEU . 36.2 Cg_endo -91.01 117.38 0.53 Allowed 'Trans proline' 0 C--N 1.366 1.476 0 C-N-CA 122.871 2.38 . . . . 0.0 111.717 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.4 mt -63.84 -64.73 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.245 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.0 m -139.46 142.48 37.37 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.041 0.448 . . . . 0.0 111.809 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -89.88 113.59 25.22 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.275 -0.875 . . . . 0.0 108.891 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.34 146.23 38.65 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.118 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.7 t -97.47 142.37 14.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.38 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.6 133.81 34.41 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.323 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.457 HD21 ' HB2' ' A' ' 86' ' ' ARG . 3.2 mm? -97.45 -16.88 19.96 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -179.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -148.94 178.21 8.89 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -86.83 149.82 24.56 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.174 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -151.37 124.58 8.77 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.536 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.492 ' HA ' HG23 ' A' ' 40' ' ' THR . 26.4 mmt -106.53 130.43 54.31 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . . . -112.78 130.33 23.58 Favored Pre-proline 0 C--O 1.234 0.289 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 1.1 Cg_endo -84.58 -61.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.362 1.285 0 C-N-CA 122.989 2.46 . . . . 0.0 112.618 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.409 ' OD1' ' HB2' ' A' ' 37' ' ' ARG . 2.1 p30 -92.12 170.97 9.41 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -179.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 33.6 t -66.24 -15.14 62.95 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.972 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.459 ' NH2' HD13 ' A' ' 7' ' ' LEU . 32.5 mtp180 -69.84 -21.07 63.4 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.658 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -121.9 156.86 32.45 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.591 -0.444 . . . . 0.0 111.479 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.9 mt -108.91 141.43 40.98 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.617 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.492 HG23 ' HA ' ' A' ' 32' ' ' MET . 31.9 m -89.18 108.96 19.9 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.1 mt -114.45 147.91 17.6 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.151 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -111.18 156.44 21.42 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.154 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -65.67 115.23 5.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.625 -178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.34 -0.57 53.81 Favored Glycine 0 C--N 1.339 0.722 0 C-N-CA 121.009 -0.615 . . . . 0.0 113.994 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -80.78 164.31 22.82 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 117.587 0.694 . . . . 0.0 111.788 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.3 t -98.07 116.18 40.09 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.117 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.533 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.7 t -112.42 128.15 69.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.632 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -97.63 120.41 37.96 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.762 -0.199 . . . . 0.0 110.514 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.0 t -86.18 120.91 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -99.94 -32.33 11.03 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.415 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 77.6 p -149.96 160.52 43.54 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -179.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -125.81 108.87 11.89 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.496 -0.775 . . . . 0.0 108.91 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.609 HD23 ' HB3' ' A' ' 11' ' ' LYS . 52.3 mt -67.62 155.74 38.46 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -178.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -132.81 -172.87 3.03 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.576 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.12 -104.21 2.94 Favored Glycine 0 C--N 1.339 0.749 0 C-N-CA 121.32 -0.467 . . . . 0.0 112.476 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.8 ptt-85 -103.04 -3.56 25.8 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.583 0.23 . . . . 0.0 110.802 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -133.6 53.65 0.79 Allowed Glycine 0 C--N 1.337 0.611 0 C-N-CA 121.186 -0.531 . . . . 0.0 112.512 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -72.49 -13.42 61.42 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 179.69 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.589 HD23 ' H ' ' A' ' 59' ' ' LEU . 1.2 pt? -95.23 5.2 52.41 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.715 179.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -107.48 120.35 41.93 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.048 0.451 . . . . 0.0 110.967 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 36.8 m0 -110.99 127.91 55.68 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.99 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.93 160.84 24.33 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.696 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 162.26 -153.52 24.2 Favored Glycine 0 C--N 1.334 0.423 0 N-CA-C 112.237 -0.345 . . . . 0.0 112.237 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.4 m -149.49 130.87 14.7 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.3 p -90.64 136.02 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.704 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.423 HE21 ' HB3' ' A' ' 66' ' ' GLN . 3.3 mt-30 . . . . . 0 CA--C 1.532 0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.339 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.717 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.87 -38.62 86.65 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.698 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 -78.57 90.45 4.53 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.555 0.693 . . . . 0.0 109.986 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.98 125.86 27.65 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.239 -178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -119.44 167.0 13.28 Favored Glycine 0 C--N 1.337 0.588 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.81 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -115.41 156.16 26.08 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.954 0.377 . . . . 0.0 111.065 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -152.14 153.58 31.32 Favored Pre-proline 0 CA--C 1.541 0.624 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.821 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -72.08 132.61 19.95 Favored 'Trans proline' 0 C--N 1.367 1.541 0 C-N-CA 122.369 2.046 . . . . 0.0 112.192 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 99.6 p -65.53 -22.07 66.68 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.333 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.8 t -66.25 -21.18 66.28 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.0 pt -99.35 0.64 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.1 m -119.6 156.1 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 120.801 0.334 . . . . 0.0 111.519 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.457 ' HB2' HD21 ' A' ' 28' ' ' LEU . 39.0 ttm180 -134.79 108.7 8.1 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.366 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -70.83 119.2 14.61 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.786 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -107.28 -39.5 5.67 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.328 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.432 ' NE2' HD23 ' A' ' 91' ' ' LEU . 0.8 OUTLIER -137.87 144.06 41.2 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.722 -179.382 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.4 m -102.92 120.68 41.05 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.457 HD12 ' HB2' ' A' ' 21' ' ' PRO . 12.0 mt -86.52 -27.1 24.21 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.753 -178.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.459 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -159.57 133.39 5.04 Favored Pre-proline 0 CA--C 1.543 0.703 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.585 -179.566 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.4 ' HD2' ' HG3' ' A' ' 92' ' ' LYS . 87.1 Cg_exo -55.31 127.53 26.64 Favored 'Trans proline' 0 C--N 1.369 1.644 0 C-N-CA 123.164 2.576 . . . . 0.0 113.643 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.427 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -103.31 81.07 0.35 Allowed Glycine 0 C--N 1.335 0.473 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.586 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -128.71 30.67 5.08 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.2 t -115.01 135.63 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.012 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -106.89 111.74 24.38 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.889 0.376 . . . . 0.0 111.093 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 33.7 t -125.49 129.76 72.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.16 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -78.9 162.94 25.68 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.59 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 75.3 p -87.52 143.7 27.08 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.072 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -101.57 -122.03 0.17 Allowed 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.08 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.01 -15.86 8.17 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 118.455 0.57 . . . . 0.0 111.459 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -85.27 -2.61 58.25 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.16 0.288 . . . . 0.0 111.592 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.82 -36.45 56.87 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.709 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.462 ' HZ ' ' HB3' ' A' ' 7' ' ' LEU . 65.6 m-85 -121.97 52.53 1.27 Allowed 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.659 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.9 t80 . . . . . 0 C--O 1.235 0.29 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.272 -179.628 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.558 0 CA-C-O 119.452 -0.638 . . . . 0.0 112.241 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -80.0 121.72 4.57 Favored 'Trans proline' 0 C--N 1.359 1.095 0 C-N-CA 122.416 2.077 . . . . 0.0 112.606 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.74 178.53 1.62 Allowed Pre-proline 0 CA--C 1.556 1.208 0 CA-C-O 118.052 -0.975 . . . . 0.0 108.876 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -47.12 146.57 6.23 Favored 'Trans proline' 0 C--N 1.383 2.376 0 C-N-CA 122.738 2.292 . . . . 0.0 114.144 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.414 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -90.29 -5.07 56.71 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.056 -0.974 . . . . 0.0 112.191 -179.267 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 73.09 -37.96 0.4 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.043 0.937 . . . . 0.0 112.641 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.89 -169.75 3.45 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.246 0.218 . . . . 0.0 111.244 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -124.11 -41.17 2.22 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.433 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.434 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 10.4 mpt_? -123.75 151.27 43.42 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.776 0.322 . . . . 0.0 111.047 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -127.9 173.05 10.32 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.77 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.6 mt -123.28 120.5 33.28 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.981 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.422 ' HA ' HD11 ' A' ' 22' ' ' ILE . 74.4 m -122.67 176.05 6.17 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.738 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.52 ' HB1' ' HG2' ' A' ' 92' ' ' LYS . . . -80.44 -41.66 24.08 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.965 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -124.63 172.48 9.22 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.57 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -68.49 -20.95 64.63 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.62 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -88.76 -17.51 29.68 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.678 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.8 t 56.9 29.89 17.01 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.781 0.8 . . . . 0.0 109.851 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.3 t -94.19 -6.76 44.02 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 114.625 -1.171 . . . . 0.0 110.899 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -100.01 147.51 33.57 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.6 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.409 ' HB2' HD12 ' A' ' 91' ' ' LEU . 33.9 Cg_endo -91.43 123.32 0.77 Allowed 'Trans proline' 0 C--N 1.367 1.504 0 C-N-CA 122.883 2.389 . . . . 0.0 111.955 179.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.422 HD11 ' HA ' ' A' ' 13' ' ' CYS . 59.2 mt -68.21 -64.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.245 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.6 t -138.2 137.37 37.51 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.124 0.488 . . . . 0.0 112.223 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.431 ' HB2' HD11 ' A' ' 91' ' ' LEU . 16.4 tmm? -89.56 117.95 28.84 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.22 150.65 39.07 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -177.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.9 t -103.66 133.02 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.312 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.8 134.34 47.3 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.413 HD11 ' HB2' ' A' ' 86' ' ' ARG . 74.9 mt -101.05 -15.7 17.35 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.463 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -152.24 -177.23 6.06 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -92.4 151.82 20.05 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.491 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -151.68 135.35 16.28 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.499 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 92.0 mtp -107.17 132.88 52.54 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.442 0.464 . . . . 0.0 110.425 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . . . -92.44 116.29 66.24 Favored Pre-proline 0 CA--C 1.537 0.456 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 6.3 Cg_exo -79.43 -60.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.365 1.408 0 C-N-CA 122.793 2.329 . . . . 0.0 111.829 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -90.71 165.38 13.72 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.182 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 39.5 m -62.89 -26.72 68.92 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.614 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -67.41 -22.53 65.53 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -99.5 160.22 14.45 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.9 mt -114.59 141.66 47.46 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.949 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 93.8 m -89.92 116.16 27.77 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.5 mt -121.61 137.63 54.61 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.208 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -100.99 156.18 17.55 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.499 178.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -62.93 113.38 3.04 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.441 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.12 3.77 41.67 Favored Glycine 0 C--N 1.34 0.752 0 C-N-CA 121.026 -0.607 . . . . 0.0 114.413 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -81.97 146.2 29.87 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 117.928 0.864 . . . . 0.0 111.723 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.3 t -83.99 115.89 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.593 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.501 HG22 HG23 ' A' ' 65' ' ' VAL . 5.5 t -124.78 126.27 71.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-O 120.67 0.271 . . . . 0.0 110.848 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -92.88 137.08 32.68 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.745 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.4 HG22 ' HZ ' ' A' ' 80' ' ' PHE . 37.3 t -97.66 132.35 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.261 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -116.76 -37.28 3.68 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.719 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.1 p -136.07 148.34 48.26 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -125.71 112.83 16.55 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.185 178.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.3 mt -69.97 145.4 51.88 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -115.91 -176.62 2.98 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.91 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.84 -126.71 7.92 Favored Glycine 0 C--N 1.339 0.718 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.695 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.5 ptt-85 -78.22 -12.68 60.01 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.585 0.231 . . . . 0.0 111.365 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -119.55 53.99 0.66 Allowed Glycine 0 C--N 1.336 0.542 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.16 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -15.67 62.56 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 122.271 0.228 . . . . 0.0 111.553 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.553 HD23 ' H ' ' A' ' 59' ' ' LEU . 1.1 pt? -100.06 7.71 44.49 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.936 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -107.22 119.84 40.48 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.504 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 32.9 m0 -111.72 -171.87 1.93 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.856 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.468 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -166.42 157.63 30.2 Favored Glycine 0 C--N 1.336 0.582 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.38 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 171.61 -148.58 11.12 Favored Glycine 0 C--N 1.333 0.383 0 N-CA-C 112.09 -0.404 . . . . 0.0 112.09 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.3 p -133.45 138.63 46.28 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.501 HG23 HG22 ' A' ' 47' ' ' VAL . 7.6 p -90.6 126.43 43.38 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 121.235 0.541 . . . . 0.0 111.739 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 . . . . . 0 CA--C 1.537 0.457 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.038 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.522 0.201 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.93 -19.57 17.98 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.651 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.45 0.77 21.19 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.836 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.4 mt 57.79 -179.9 0.06 Allowed 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.44 -176.48 38.24 Favored Glycine 0 C--N 1.337 0.586 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.364 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.468 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 99.0 m-85 -134.89 147.64 49.89 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 117.097 0.448 . . . . 0.0 111.029 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.4 ' HZ ' HG22 ' A' ' 49' ' ' VAL . 40.4 p90 -152.71 158.13 33.22 Favored Pre-proline 0 CA--C 1.546 0.818 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.372 -178.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -76.97 135.82 15.93 Favored 'Trans proline' 0 C--N 1.368 1.6 0 C-N-CA 122.454 2.103 . . . . 0.0 111.962 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 97.0 p -65.91 -19.76 65.98 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.6 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.4 p -66.86 -16.84 64.57 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.9 pt -102.45 2.21 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.7 m -119.15 155.24 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.413 ' HB2' HD11 ' A' ' 28' ' ' LEU . 55.7 ttt180 -120.87 112.49 18.86 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.025 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -85.85 140.41 30.44 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.762 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -153.64 -30.69 0.12 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.759 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 45.6 tp60 -122.88 119.67 31.21 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.4 m -102.38 115.88 31.47 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' ' 24' ' ' MET . 8.7 mt -86.04 -19.2 30.64 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -177.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.52 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -168.08 131.81 1.39 Allowed Pre-proline 0 N--CA 1.473 0.703 0 O-C-N 123.357 0.41 . . . . 0.0 110.993 -179.377 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -57.21 129.06 32.24 Favored 'Trans proline' 0 C--N 1.371 1.723 0 C-N-CA 123.029 2.486 . . . . 0.0 113.574 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -105.7 82.45 0.33 Allowed Glycine 0 C--N 1.333 0.39 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 179.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.2 ptpp? -125.12 29.49 6.09 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 53.4 t -115.93 133.95 60.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -103.11 117.05 33.68 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.906 0.384 . . . . 0.0 111.258 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.8 t -123.44 133.02 70.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.865 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.434 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 24.3 pttm -80.07 163.74 23.93 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.433 0.159 . . . . 0.0 110.821 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.0 p -94.72 157.84 15.78 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.423 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -111.14 -172.1 1.96 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.547 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.27 -17.73 51.34 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.766 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -76.33 -22.53 54.83 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.764 0.316 . . . . 0.0 110.385 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.21 139.82 38.94 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.854 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.407 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 80.9 m-85 58.23 46.05 16.34 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 123.951 0.782 . . . . 0.0 111.127 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 10.5 t80 . . . . . 0 C--O 1.235 0.306 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.113 179.912 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.358 0 N-CA-C 111.685 -0.566 . . . . 0.0 111.685 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -84.38 125.65 3.48 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 122.267 1.978 . . . . 0.0 113.229 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.503 ' HG3' HH21 ' A' ' 37' ' ' ARG . 4.6 ppp? -128.44 155.68 78.24 Favored Pre-proline 0 CA--C 1.542 0.639 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.172 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -50.16 131.07 30.07 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.864 2.376 . . . . 0.0 113.52 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -56.75 134.49 54.97 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.615 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.4 tp -78.93 -34.83 44.19 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.17 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.62 169.83 18.18 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.834 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -110.03 -53.66 2.65 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.16 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -117.16 148.61 41.44 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.931 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.1 pttt -127.73 176.55 7.45 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.042 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.3 mt -120.61 119.76 33.81 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.517 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 57.2 m -125.86 175.91 7.33 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.671 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.16 -39.2 34.06 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.087 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -128.79 172.45 11.27 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -67.53 -19.66 65.33 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.034 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -88.72 -19.41 26.14 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.786 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.6 t 56.08 30.91 17.16 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.828 0.823 . . . . 0.0 109.956 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.5 t -100.73 17.07 22.92 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.468 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.402 ' ND1' ' HD3' ' A' ' 92' ' ' LYS . 8.8 m170 -121.36 148.5 49.93 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.789 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.447 ' HB2' HD12 ' A' ' 91' ' ' LEU . 31.0 Cg_endo -90.01 119.99 0.84 Allowed 'Trans proline' 0 C--N 1.365 1.412 0 C-N-CA 122.696 2.264 . . . . 0.0 111.912 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.1 mt -62.83 -64.34 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.043 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.4 m -141.47 145.92 35.83 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.088 0.471 . . . . 0.0 112.021 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -89.53 114.62 26.18 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.244 -0.889 . . . . 0.0 108.82 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.52 143.39 45.66 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.957 0.408 . . . . 0.0 111.974 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.5 t -96.59 136.23 28.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.127 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.41 133.74 39.8 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.943 0.402 . . . . 0.0 111.628 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.3 mt -100.12 -16.62 17.77 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.163 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -153.24 -175.91 5.55 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.36 155.59 17.15 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.947 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -151.32 146.64 26.15 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.815 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -115.47 137.45 52.04 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.012 0.195 . . . . 0.0 110.629 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.14 111.3 46.03 Favored Pre-proline 0 CA--C 1.538 0.512 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -75.21 -59.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.365 1.42 0 C-N-CA 122.666 2.244 . . . . 0.0 112.785 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -91.04 170.96 9.6 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.214 0.531 . . . . 0.0 112.377 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.4 p -62.74 -24.4 67.68 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.601 ' HB3' HH11 ' A' ' 37' ' ' ARG . 0.0 OUTLIER -99.54 16.44 23.31 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -178.202 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.454 ' HA ' ' H ' ' A' ' 79' ' ' TYR . 1.8 m-85 -109.51 163.58 13.3 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.739 HD21 HG23 ' A' ' 65' ' ' VAL . 54.2 tp -124.35 136.58 54.2 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -177.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.8 m -89.74 128.85 36.18 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.386 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 54.5 mt -128.29 149.06 32.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.79 -178.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -116.18 151.02 36.51 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -60.77 115.17 3.46 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.29 0.368 . . . . 0.0 111.698 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.14 6.72 44.9 Favored Glycine 0 C--N 1.339 0.728 0 CA-C-N 115.859 -0.609 . . . . 0.0 114.295 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -87.61 149.0 24.58 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 117.796 0.798 . . . . 0.0 112.21 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.1 t -80.63 117.0 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.072 0 CA-C-N 115.03 -0.986 . . . . 0.0 108.914 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.539 HG22 HG22 ' A' ' 65' ' ' VAL . 12.9 t -122.63 117.07 50.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.558 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -87.78 122.71 31.77 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.199 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.6 t -86.65 131.73 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -112.75 -33.16 6.19 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.0 p -146.93 148.37 31.7 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.8 mttm -120.57 114.03 21.13 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.6 mt -65.22 150.04 48.9 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -177.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -118.09 -41.2 2.9 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.017 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -66.97 100.83 0.59 Allowed Glycine 0 C--N 1.341 0.836 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.534 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.2 ptt85 43.88 25.02 0.08 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.995 1.318 . . . . 0.0 113.35 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -110.61 -58.69 0.49 Allowed Glycine 0 C--N 1.336 0.566 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 52.05 -74.89 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.145 1.378 . . . . 0.0 113.454 178.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 74.1 mt -75.94 -10.13 59.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.641 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -88.86 118.82 28.84 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.174 0.511 . . . . 0.0 110.783 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 52.6 m0 -110.45 -175.59 2.76 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.422 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -162.5 142.25 7.8 Favored Glycine 0 C--N 1.337 0.616 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.713 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.4 -147.08 6.52 Favored Glycine 0 C--N 1.337 0.635 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.777 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.6 p -136.08 169.58 17.38 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.584 0.226 . . . . 0.0 110.763 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.739 HG23 HD21 ' A' ' 39' ' ' LEU . 73.2 t -116.29 126.73 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.536 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 . . . . . 0 CA--C 1.537 0.473 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.093 178.398 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.27 0 CA-C-O 120.677 0.275 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.56 -176.59 4.35 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.421 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 37.34 82.58 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.161 0.984 . . . . 0.0 112.816 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.6 mt -59.1 123.94 18.28 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.768 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.474 ' HA3' ' HB2' ' A' ' 39' ' ' LEU . . . -117.69 167.62 12.82 Favored Glycine 0 C--N 1.333 0.4 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.669 -179.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.454 ' H ' ' HA ' ' A' ' 38' ' ' PHE . 17.7 m-85 -104.68 150.46 24.7 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.834 0.35 . . . . 0.0 110.98 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -152.37 151.15 26.79 Favored Pre-proline 0 CA--C 1.542 0.636 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.652 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.483 ' O ' HG12 ' A' ' 84' ' ' ILE . 11.2 Cg_exo -71.86 142.23 38.71 Favored 'Trans proline' 0 C--N 1.366 1.464 0 C-N-CA 122.264 1.976 . . . . 0.0 111.784 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 94.6 p -66.3 -22.09 66.28 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.212 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.5 p -67.58 -19.3 65.24 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.518 HG13 HG13 ' A' ' 85' ' ' VAL . 21.6 pt -92.58 -3.68 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 C-N-CA 120.42 -0.512 . . . . 0.0 112.214 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.518 HG13 HG13 ' A' ' 84' ' ' ILE . 33.9 m -126.46 168.19 19.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 120.964 0.411 . . . . 0.0 111.858 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -139.52 117.45 11.72 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.129 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -76.39 129.72 37.0 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.905 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -122.06 -35.04 3.23 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.465 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -143.89 140.78 29.94 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.103 0.252 . . . . 0.0 111.591 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 55.8 m -101.91 125.63 48.63 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.898 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.447 HD12 ' HB2' ' A' ' 21' ' ' PRO . 20.2 mt -87.19 -24.86 24.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.168 -179.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.402 ' HD3' ' ND1' ' A' ' 20' ' ' HIS . 0.6 OUTLIER -166.5 136.85 2.63 Favored Pre-proline 0 N--CA 1.469 0.497 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.482 179.06 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -62.79 123.72 12.81 Favored 'Trans proline' 0 C--N 1.366 1.493 0 C-N-CA 122.837 2.358 . . . . 0.0 113.252 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -100.42 89.92 0.87 Allowed Glycine 0 C--N 1.335 0.526 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.89 33.52 2.65 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 49.0 t -120.34 114.8 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.957 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -78.8 115.32 18.41 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.335 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 24.7 t -125.01 126.36 71.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.095 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -76.43 160.52 29.46 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.824 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 62.5 p -101.55 163.62 12.17 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.142 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -109.25 -177.53 3.32 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.527 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -77.69 -22.87 49.83 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.521 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 76.2 m95 -76.99 -14.28 59.86 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.439 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -80.93 -26.64 36.55 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -119.0 43.69 2.51 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.178 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 9.7 t80 . . . . . 0 N--CA 1.466 0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.461 179.833 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.605 0 CA-C-O 119.757 -0.468 . . . . 0.0 112.946 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -78.89 110.52 2.8 Favored 'Trans proline' 0 C--N 1.363 1.326 0 C-N-CA 122.502 2.135 . . . . 0.0 111.867 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.7 ptm -142.74 149.52 50.4 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.327 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -89.12 167.31 5.51 Favored 'Trans proline' 0 C--N 1.362 1.24 0 C-N-CA 122.969 2.446 . . . . 0.0 113.461 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.824 ' HD3' HD11 ' A' ' 53' ' ' LEU . 3.9 mtpt -90.43 -160.65 0.72 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.644 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.591 ' H ' HD22 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -92.29 -22.58 19.66 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.479 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.459 ' HB3' HD13 ' A' ' 53' ' ' LEU . . . -115.32 -162.92 0.85 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.204 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -139.86 -20.76 0.89 Allowed 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.478 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 0.7 OUTLIER -128.95 149.24 50.89 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 120.722 0.296 . . . . 0.0 111.139 178.823 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.526 ' HB3' HD23 ' A' ' 53' ' ' LEU . 20.7 pttp -127.82 173.29 10.09 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.583 -179.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.3 mt -126.97 119.99 28.01 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.075 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.495 ' HA ' HD11 ' A' ' 22' ' ' ILE . 81.1 m -122.44 174.56 6.96 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.707 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -78.19 -31.16 49.38 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.214 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -145.02 173.85 11.54 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.971 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -64.41 -20.08 65.92 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.893 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -88.44 -22.25 23.8 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.766 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.4 t 57.6 28.58 15.87 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.833 0.825 . . . . 0.0 109.557 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.2 t -93.21 -9.62 38.6 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.969 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -96.18 147.25 32.68 Favored Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.45 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -89.77 120.39 0.92 Allowed 'Trans proline' 0 C--N 1.366 1.495 0 C-N-CA 122.787 2.325 . . . . 0.0 111.516 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.495 HD11 ' HA ' ' A' ' 13' ' ' CYS . 57.2 mt -66.17 -65.4 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.138 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.513 -179.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.8 m -138.98 141.37 38.38 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.154 0.502 . . . . 0.0 112.024 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.8 tmm? -90.12 114.64 26.61 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.642 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.61 145.45 42.69 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.2 t -95.37 141.53 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.603 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.72 135.57 34.08 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.27 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -100.35 -18.19 16.9 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -150.71 179.72 7.96 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -87.58 154.17 20.82 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.375 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -151.09 129.09 11.75 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.411 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 65.5 mtt -106.14 127.79 53.45 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 123.408 0.442 . . . . 0.0 110.508 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.97 120.27 61.85 Favored Pre-proline 0 CA--C 1.535 0.376 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -79.72 -64.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.363 1.331 0 C-N-CA 122.577 2.185 . . . . 0.0 111.729 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -91.93 169.9 10.29 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.445 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.8 t -64.73 -13.87 56.41 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.609 ' HD2' ' HG2' ' A' ' 6' ' ' LYS . 54.0 ttp85 -76.72 -30.04 56.48 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 117.894 0.315 . . . . 0.0 111.054 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -94.05 159.5 15.13 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.002 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.2 tp -119.14 139.11 52.35 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.93 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.9 m -88.48 121.18 30.58 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 64.3 mt -127.76 141.1 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.3 -178.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -103.34 154.68 19.12 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.405 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -64.29 122.57 16.97 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.797 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.74 -4.67 63.71 Favored Glycine 0 C--N 1.337 0.584 0 C-N-CA 121.089 -0.577 . . . . 0.0 114.073 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -80.94 152.63 27.95 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 117.468 0.634 . . . . 0.0 111.888 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.6 t -89.52 126.59 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-N 115.234 -0.893 . . . . 0.0 109.742 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.553 HG22 HG23 ' A' ' 65' ' ' VAL . 7.0 t -127.35 129.21 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.677 0.275 . . . . 0.0 110.969 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -95.37 126.47 40.7 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.585 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.3 t -90.23 130.17 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.329 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -111.23 -36.25 5.65 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.766 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 62.0 p -136.13 146.35 46.85 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -130.72 111.45 12.18 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.405 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.824 HD11 ' HD3' ' A' ' 6' ' ' LYS . 58.4 mt -70.9 156.13 39.96 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.449 0.166 . . . . 0.0 111.21 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -137.18 170.29 16.35 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.054 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.42 -98.45 2.09 Favored Glycine 0 C--N 1.336 0.576 0 CA-C-N 115.955 -0.566 . . . . 0.0 113.213 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.3 mmm-85 -73.7 -34.61 64.91 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 122.307 0.243 . . . . 0.0 111.295 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.3 60.24 0.68 Allowed Glycine 0 C--N 1.334 0.45 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.238 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -11.08 60.74 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 66.2 mt -101.76 6.58 41.8 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.091 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -113.04 124.02 51.64 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.192 0.52 . . . . 0.0 111.531 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 45.3 m0 -111.57 -171.81 1.91 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.813 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.505 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -166.49 156.55 28.51 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.413 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 167.21 -153.37 22.87 Favored Glycine 0 C--N 1.338 0.644 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.46 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 86.3 p -126.62 142.4 51.55 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.497 0.189 . . . . 0.0 110.604 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.553 HG23 HG22 ' A' ' 47' ' ' VAL . 7.2 p -92.29 124.36 44.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 121.289 0.566 . . . . 0.0 111.6 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 . . . . . 0 C--O 1.233 0.202 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.142 179.463 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.334 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.15 -42.89 79.4 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.593 0.235 . . . . 0.0 110.663 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -82.91 118.67 23.62 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.392 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.4 tp -98.56 133.78 42.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.599 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -135.42 -168.94 11.72 Favored Glycine 0 C--N 1.338 0.686 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.793 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.505 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 65.1 m-85 -131.09 152.46 50.36 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.58 0.229 . . . . 0.0 110.808 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -150.64 151.42 30.56 Favored Pre-proline 0 CA--C 1.542 0.642 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.348 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.402 ' O ' HG12 ' A' ' 84' ' ' ILE . 7.4 Cg_exo -73.45 139.5 28.75 Favored 'Trans proline' 0 C--N 1.369 1.623 0 C-N-CA 122.467 2.111 . . . . 0.0 111.908 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 98.5 p -64.15 -20.07 65.73 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.893 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.3 t -65.42 -20.66 66.47 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.462 HG13 HG13 ' A' ' 85' ' ' VAL . 32.0 pt -96.78 -3.56 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.462 HG13 HG13 ' A' ' 84' ' ' ILE . 20.1 m -124.39 169.56 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 121.083 0.468 . . . . 0.0 111.928 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -142.96 115.24 8.44 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.018 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -62.77 134.38 56.18 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.936 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -117.82 -46.02 2.66 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.063 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.424 ' NE2' HD23 ' A' ' 91' ' ' LEU . 1.2 tm0? -148.72 135.02 19.41 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.1 m -88.87 120.98 30.77 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.424 HD23 ' NE2' ' A' ' 89' ' ' GLN . 9.8 mt -86.07 -30.98 22.19 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.402 -178.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -154.98 127.31 3.96 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.565 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -53.24 128.16 28.03 Favored 'Trans proline' 0 C--N 1.37 1.691 0 C-N-CA 122.806 2.337 . . . . 0.0 113.877 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -103.98 91.49 0.82 Allowed Glycine 0 C--N 1.335 0.488 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -132.85 28.67 4.19 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 41.3 t -117.03 133.68 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.29 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -101.29 120.03 39.64 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.904 0.383 . . . . 0.0 111.298 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.447 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 15.4 t -128.0 127.83 68.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.546 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.478 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -79.63 167.29 20.89 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.596 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.2 p -108.29 130.54 55.18 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.716 0.293 . . . . 0.0 111.218 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -102.29 -112.41 0.21 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.848 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.84 -3.26 4.66 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.415 0.552 . . . . 0.0 111.756 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -92.98 -9.66 39.11 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.675 0.274 . . . . 0.0 110.814 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -79.69 -28.2 40.67 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.281 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -143.48 83.88 1.79 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.326 0.584 . . . . 0.0 111.866 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.9 t80 . . . . . 0 CA--C 1.535 0.377 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.549 179.36 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.449 0 CA-C-O 119.712 -0.493 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -83.43 107.18 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 C-N-CA 122.574 2.182 . . . . 0.0 112.551 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.87 176.29 1.58 Allowed Pre-proline 0 CA--C 1.553 1.082 0 CA-C-O 118.249 -0.882 . . . . 0.0 108.856 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -49.25 147.46 11.65 Favored 'Trans proline' 0 C--N 1.382 2.308 0 C-N-CA 122.349 2.033 . . . . 0.0 113.342 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.495 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 4.6 mptt -63.75 -38.54 91.49 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.104 -179.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 6' ' ' LYS . 1.1 pp 56.39 5.31 0.18 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.879 1.272 . . . . 0.0 113.554 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -163.73 174.13 12.01 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 122.471 0.309 . . . . 0.0 110.964 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -139.44 -53.04 0.55 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.145 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.458 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 1.4 mpp_? -127.69 151.14 49.34 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.473 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.468 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 56.8 pttt -119.78 165.53 14.44 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.008 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.0 mt -114.47 113.48 24.53 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.556 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.597 ' HA ' HD11 ' A' ' 22' ' ' ILE . 59.0 m -118.03 174.45 6.2 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.786 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.453 ' HB1' ' HG2' ' A' ' 92' ' ' LYS . . . -83.44 -30.56 27.18 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.326 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -140.88 174.79 10.18 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.016 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -67.5 -19.24 65.29 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.979 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -88.59 -20.52 24.88 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.574 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.1 t 56.04 30.74 16.76 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.904 0.859 . . . . 0.0 109.918 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.0 t -96.11 -4.18 43.25 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.948 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -106.28 147.53 35.04 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.736 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -90.82 130.13 1.45 Allowed 'Trans proline' 0 C--N 1.365 1.428 0 C-N-CA 122.991 2.461 . . . . 0.0 111.858 179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.597 HD11 ' HA ' ' A' ' 13' ' ' CYS . 5.2 mp -73.29 -62.89 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.117 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.343 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.2 m -132.62 144.01 50.07 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 25.5 ttp -93.62 109.73 21.35 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 87' ' ' GLU . . . -108.67 144.4 36.48 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.4 t -98.61 137.53 25.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.739 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.3 127.71 33.06 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 123.236 0.335 . . . . 0.0 111.452 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.0 mt -93.84 -17.54 22.97 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.414 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -153.55 -175.54 5.41 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.58 153.74 17.68 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.634 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -151.35 146.85 26.28 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.111 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.4 ' HA ' HG23 ' A' ' 40' ' ' THR . 26.4 mmt -117.79 142.61 47.1 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.39 106.63 14.36 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -78.98 -47.11 0.1 OUTLIER 'Trans proline' 0 C--N 1.367 1.506 0 C-N-CA 122.811 2.341 . . . . 0.0 112.166 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -89.16 161.86 16.25 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.568 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 36.7 t -63.72 -31.84 73.14 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.258 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.418 ' NH1' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -88.22 -0.09 56.71 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -89.3 169.16 11.66 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.622 0.249 . . . . 0.0 111.299 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.699 HD21 HG23 ' A' ' 65' ' ' VAL . 52.9 tp -128.71 137.6 51.69 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.82 -178.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.4 HG23 ' HA ' ' A' ' 32' ' ' MET . 42.5 m -91.09 127.98 36.73 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.69 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.8 mt -126.97 150.54 32.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.86 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -117.62 150.24 39.35 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -62.01 117.77 6.4 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.684 0.278 . . . . 0.0 111.52 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.58 -2.82 36.62 Favored Glycine 0 C--N 1.338 0.668 0 C-N-CA 120.927 -0.654 . . . . 0.0 114.1 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -83.08 144.53 29.83 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 117.663 0.732 . . . . 0.0 111.712 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.3 t -83.64 124.04 39.31 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.409 HG22 HG22 ' A' ' 65' ' ' VAL . 6.1 t -125.01 118.19 52.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 120.956 0.407 . . . . 0.0 111.345 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -86.03 123.49 31.4 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.936 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 36.9 t -87.49 122.16 38.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.395 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -103.52 -22.21 13.65 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.468 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 69.4 p -154.93 141.87 19.18 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -119.76 112.58 19.44 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.083 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.5 mt -68.3 151.84 46.32 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -120.07 179.78 4.17 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.826 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.47 -121.56 5.55 Favored Glycine 0 C--N 1.339 0.728 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.504 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -76.91 -19.02 57.91 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.696 0.284 . . . . 0.0 110.93 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -105.12 47.25 1.08 Allowed Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.947 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -66.27 -26.97 67.59 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 122.707 0.403 . . . . 0.0 111.166 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.529 HD23 ' H ' ' A' ' 59' ' ' LEU . 1.2 pt? -103.6 18.79 21.1 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.063 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -115.05 117.88 31.82 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.127 0.489 . . . . 0.0 111.194 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 33.0 m0 -110.56 178.65 4.3 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.413 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -159.83 147.94 15.8 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.331 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 175.82 -153.98 16.22 Favored Glycine 0 C--N 1.335 0.505 0 C-N-CA 121.334 -0.46 . . . . 0.0 112.52 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 87.7 p -132.34 153.5 50.68 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.396 0.141 . . . . 0.0 110.668 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.699 HG23 HD21 ' A' ' 39' ' ' LEU . 91.7 t -94.76 122.39 46.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 111.59 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 . . . . . 0 C--O 1.237 0.44 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.07 177.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.405 0 CA-C-O 121.001 0.429 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.68 -30.94 0.11 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.487 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.94 -9.75 58.46 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.888 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.9 mt 63.9 139.91 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.244 1.017 . . . . 0.0 113.473 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.496 ' HA3' ' HB2' ' A' ' 39' ' ' LEU . . . -132.64 173.38 20.9 Favored Glycine 0 C--N 1.335 0.503 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.892 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -121.7 142.35 50.25 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.86 0.362 . . . . 0.0 110.997 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -146.85 154.93 47.95 Favored Pre-proline 0 CA--C 1.542 0.671 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.16 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.401 ' O ' HG12 ' A' ' 84' ' ' ILE . 4.8 Cg_exo -74.61 138.05 23.52 Favored 'Trans proline' 0 C--N 1.367 1.521 0 C-N-CA 122.23 1.953 . . . . 0.0 111.473 179.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 90.2 p -63.87 -18.15 63.88 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.859 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.4 t -65.35 -23.33 66.96 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.458 HG13 HG13 ' A' ' 85' ' ' VAL . 25.2 pt -92.39 -6.11 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.458 HG13 HG13 ' A' ' 84' ' ' ILE . 21.4 m -127.28 163.59 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -145.51 112.36 5.97 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.321 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 25' ' ' ALA . 1.0 OUTLIER -82.85 136.56 34.59 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.744 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -127.23 -21.08 3.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.432 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -133.81 116.25 15.47 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.705 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.4 m -84.31 126.66 33.4 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.223 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.6 mt -88.2 -41.01 13.25 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.075 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.453 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 1.7 tpmt? -150.76 132.79 8.0 Favored Pre-proline 0 CA--C 1.543 0.693 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.255 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.416 ' HD2' ' HG3' ' A' ' 92' ' ' LYS . 84.3 Cg_exo -48.73 126.72 15.11 Favored 'Trans proline' 0 C--N 1.374 1.888 0 C-N-CA 123.172 2.581 . . . . 0.0 113.927 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -105.43 78.14 0.26 Allowed Glycine 0 C--N 1.333 0.374 0 N-CA-C 111.251 -0.739 . . . . 0.0 111.251 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -121.31 22.88 10.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.4 t -113.7 136.66 49.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -112.93 120.22 40.65 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.799 0.333 . . . . 0.0 110.878 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.1 t -124.27 134.16 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.057 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.458 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 95.4 mttt -73.9 154.23 39.49 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.71 -0.223 . . . . 0.0 110.638 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 64.8 p -103.23 140.65 37.09 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 52.8 p30 -98.11 -170.38 1.96 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? -79.34 -8.6 59.2 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -95.24 23.84 5.48 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.789 0.328 . . . . 0.0 111.424 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -113.14 -21.62 10.93 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.354 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.411 ' HD2' HH21 ' A' ' 37' ' ' ARG . 0.4 OUTLIER -148.61 58.92 1.07 Allowed 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.214 0.531 . . . . 0.0 111.932 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 20.0 t80 . . . . . 0 N--CA 1.465 0.316 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.574 179.37 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.419 0 CA-C-O 119.708 -0.496 . . . . 0.0 112.965 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -82.78 166.11 15.31 Favored 'Trans proline' 0 C--N 1.361 1.199 0 C-N-CA 122.727 2.285 . . . . 0.0 112.258 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.613 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 1.6 pmm? -153.63 173.11 4.94 Favored Pre-proline 0 CA--C 1.546 0.821 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.317 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.613 ' HD2' ' HB2' ' A' ' 4' ' ' MET . 41.6 Cg_endo -65.72 137.23 48.95 Favored 'Trans proline' 0 C--N 1.37 1.668 0 C-N-CA 122.188 1.925 . . . . 0.0 111.64 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -66.89 129.1 38.77 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.374 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.8 mt -78.42 -29.54 47.18 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.48 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -150.17 -175.43 5.06 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.994 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -121.4 -52.17 2.05 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.07 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -123.43 161.06 25.54 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.172 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.733 ' HB3' HD23 ' A' ' 53' ' ' LEU . 38.7 pttt -141.26 177.88 7.79 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.927 -178.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.412 HD21 ' HD2' ' A' ' 54' ' ' LYS . 3.9 mm? -108.32 134.02 51.72 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.743 178.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.433 ' HA ' HD11 ' A' ' 22' ' ' ILE . 94.9 m -138.67 165.73 26.18 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 123.604 0.565 . . . . 0.0 110.438 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.431 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -79.79 -30.88 40.73 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.058 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -141.94 172.2 13.01 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.261 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -67.19 -15.37 63.66 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.392 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -89.21 -20.26 24.4 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.819 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.9 m 56.81 28.15 13.97 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 123.654 0.596 . . . . 0.0 110.199 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.1 t -96.48 -5.49 39.41 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.572 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -98.3 152.05 37.79 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.66 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.44 ' HB2' HD12 ' A' ' 91' ' ' LEU . 38.5 Cg_endo -91.65 117.64 0.48 Allowed 'Trans proline' 0 C--N 1.368 1.576 0 C-N-CA 122.755 2.303 . . . . 0.0 112.067 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.433 HD11 ' HA ' ' A' ' 13' ' ' CYS . 36.9 mt -71.01 -62.55 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 -179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.1 p -135.65 137.15 41.57 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.8 tmm? -89.59 116.02 27.42 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.05 146.33 42.27 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.142 0.496 . . . . 0.0 112.328 -178.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.7 t -99.36 137.06 27.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.206 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.34 131.88 37.19 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.225 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.0 mt -98.76 -15.32 19.36 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.63 -0.713 . . . . 0.0 112.579 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -153.37 179.71 8.52 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -89.08 151.78 22.03 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.457 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -151.57 130.39 12.44 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.823 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -105.08 133.57 49.64 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.09 112.33 44.77 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -78.66 -52.4 0.06 OUTLIER 'Trans proline' 0 C--N 1.365 1.413 0 C-N-CA 122.473 2.115 . . . . 0.0 111.774 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -90.92 162.68 14.66 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.664 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.8 t -62.7 -31.93 72.93 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.323 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -77.49 -13.48 59.91 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -91.04 157.55 17.19 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.614 0.245 . . . . 0.0 111.369 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.4 mt -113.56 143.97 43.65 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.33 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 37.5 m -94.49 112.08 23.85 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.1 mt -113.8 146.68 18.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.938 -177.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -110.96 151.84 27.48 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.009 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -64.32 120.29 11.92 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.533 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.34 -7.69 51.59 Favored Glycine 0 C--N 1.338 0.664 0 C-N-CA 120.992 -0.623 . . . . 0.0 113.994 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -79.26 151.66 31.01 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 117.426 0.613 . . . . 0.0 111.76 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.6 t -91.01 109.79 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.07 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.484 ' HA ' ' HA ' ' A' ' 65' ' ' VAL . 16.5 t -109.63 126.87 66.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 120.6 0.238 . . . . 0.0 110.583 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -93.96 128.79 40.48 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.066 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.3 t -89.01 127.94 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.729 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -107.82 -22.36 12.49 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.629 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.0 p -154.23 157.2 38.4 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -130.91 107.46 9.13 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.733 HD23 ' HB3' ' A' ' 11' ' ' LYS . 48.2 mt -67.36 157.48 33.93 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -178.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.412 ' HD2' HD21 ' A' ' 12' ' ' LEU . 29.5 mtpp -123.4 -178.51 4.02 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.804 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.29 -138.26 18.2 Favored Glycine 0 C--N 1.34 0.772 0 CA-C-N 116.059 -0.519 . . . . 0.0 113.282 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 -69.49 -26.36 64.51 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 122.59 0.356 . . . . 0.0 111.591 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -110.68 39.57 2.85 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 121.25 -0.5 . . . . 0.0 112.113 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.1 ptt-85 -69.41 -16.55 63.52 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.9 mt -84.72 9.44 13.96 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.598 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -112.24 120.97 43.58 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.132 0.491 . . . . 0.0 111.063 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 22.4 m0 -108.02 119.89 40.75 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.878 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.56 161.48 42.64 Favored Glycine 0 C--N 1.333 0.414 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.098 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 148.67 -159.34 28.0 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.86 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.9 m -154.84 153.79 31.71 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.909 0.385 . . . . 0.0 111.171 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.484 ' HA ' ' HA ' ' A' ' 47' ' ' VAL . 9.0 p -70.04 162.95 3.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.97 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 . . . . . 0 N--CA 1.477 0.901 0 C-N-CA 124.506 1.123 . . . . 0.0 113.187 -179.588 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.353 0 CA-C-O 121.129 0.49 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -146.46 -43.24 0.19 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.624 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -92.9 -18.26 23.01 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.952 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.8 tp 65.94 143.59 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 O-C-N 124.387 1.054 . . . . 0.0 111.468 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -149.49 -156.61 7.28 Favored Glycine 0 C--N 1.344 0.981 0 C-N-CA 120.174 -1.012 . . . . 0.0 113.797 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -136.35 155.89 49.41 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 122.625 0.37 . . . . 0.0 110.81 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -154.51 148.23 18.74 Favored Pre-proline 0 CA--C 1.541 0.605 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.913 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.423 ' O ' HG12 ' A' ' 84' ' ' ILE . 12.5 Cg_exo -70.64 135.2 27.79 Favored 'Trans proline' 0 C--N 1.365 1.401 0 C-N-CA 122.182 1.921 . . . . 0.0 111.734 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 93.1 p -65.07 -21.21 66.79 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.447 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.2 m -66.16 -22.01 66.35 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.434 HG13 HG13 ' A' ' 85' ' ' VAL . 30.1 pt -95.4 -5.21 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.434 HG13 HG13 ' A' ' 84' ' ' ILE . 24.4 m -122.41 163.55 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 111.539 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -137.63 114.61 10.72 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.218 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -69.71 130.13 41.5 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.062 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -127.11 -34.3 2.34 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.548 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.78 127.66 18.3 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 55.9 m -89.0 124.83 34.64 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.44 HD12 ' HB2' ' A' ' 21' ' ' PRO . 40.4 mt -87.29 -39.62 15.22 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.485 -178.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -152.81 125.06 3.88 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.58 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -49.37 130.13 24.39 Favored 'Trans proline' 0 C--N 1.37 1.665 0 C-N-CA 123.173 2.582 . . . . 0.0 114.306 -178.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.431 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -109.39 86.33 0.44 Allowed Glycine 0 C--N 1.334 0.447 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -126.24 30.81 5.53 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.6 t -122.74 109.66 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.87 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -75.03 120.38 20.48 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.65 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.7 131.47 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.867 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -78.51 164.02 25.07 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.675 -0.238 . . . . 0.0 110.993 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 66.9 p -97.86 152.14 19.5 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.778 0.323 . . . . 0.0 111.331 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -113.0 -170.65 1.71 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.232 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.87 2.57 41.98 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -106.78 18.04 22.39 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.763 0.316 . . . . 0.0 110.649 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -102.66 -34.64 8.99 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.916 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -144.44 61.25 1.34 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.39 0.614 . . . . 0.0 111.221 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.2 t80 . . . . . 0 CA--C 1.533 0.323 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.533 -179.352 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.676 0 CA-C-O 119.709 -0.495 . . . . 0.0 113.019 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -81.84 118.21 3.06 Favored 'Trans proline' 0 C--N 1.363 1.327 0 C-N-CA 122.792 2.328 . . . . 0.0 111.832 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.552 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 31.0 mtm -127.61 167.89 16.81 Favored Pre-proline 0 CA--C 1.543 0.678 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.288 -178.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.552 ' HD2' ' HB3' ' A' ' 4' ' ' MET . 73.5 Cg_endo -73.58 -176.16 2.4 Favored 'Trans proline' 0 C--N 1.376 1.994 0 C-N-CA 122.275 1.983 . . . . 0.0 112.337 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -90.13 131.23 36.09 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.8 mt -90.26 -29.78 17.94 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.515 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.26 -174.6 4.63 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.35 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -127.52 -46.71 1.45 Allowed 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.408 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 9.3 mpt_? -129.19 155.03 46.18 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.803 0.335 . . . . 0.0 110.933 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.5 pttt -138.3 167.36 22.03 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.083 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -101.59 127.94 48.08 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 70.9 m -130.59 171.28 13.22 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.776 0.672 . . . . 0.0 110.707 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.473 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -78.21 -29.98 48.62 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.542 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -153.1 178.48 9.67 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.093 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -62.24 -22.4 65.94 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.279 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -88.68 -22.01 23.63 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.813 -0.176 . . . . 0.0 111.246 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.0 t 54.58 32.71 17.56 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.743 0.782 . . . . 0.0 109.859 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.0 t -100.64 2.8 41.97 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.275 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -106.37 152.22 40.5 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.61 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.472 ' HB2' HD12 ' A' ' 91' ' ' LEU . 40.7 Cg_endo -91.3 122.82 0.76 Allowed 'Trans proline' 0 C--N 1.368 1.562 0 C-N-CA 122.809 2.339 . . . . 0.0 112.067 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.506 HD13 ' HZ2' ' A' ' 52' ' ' LYS . 36.7 mt -71.21 -65.32 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.549 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.1 t -134.55 140.18 45.95 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.051 0.453 . . . . 0.0 112.158 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.3 ttp -89.79 114.94 26.74 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.127 -0.942 . . . . 0.0 108.936 178.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.72 141.5 48.32 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.6 t -97.76 136.14 29.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.129 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.07 134.85 46.06 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.982 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.6 mt -97.62 -21.47 17.03 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.47 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -149.81 -179.45 7.14 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -87.2 150.69 23.75 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.485 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -151.85 137.15 17.55 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.653 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -112.77 139.15 48.63 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.28 107.81 37.8 Favored Pre-proline 0 CA--C 1.537 0.462 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -85.68 -42.04 0.06 OUTLIER 'Trans proline' 0 C--N 1.362 1.24 0 C-N-CA 122.385 2.056 . . . . 0.0 112.946 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -91.3 163.32 14.27 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.103 0.561 . . . . 0.0 111.486 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.2 t -60.68 -46.55 89.94 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.425 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -74.59 1.4 12.19 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -101.45 148.64 24.94 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 117.993 0.36 . . . . 0.0 110.968 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.38 142.73 46.3 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.018 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 66.7 m -88.77 125.12 34.74 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 75.7 mt -128.22 138.71 53.89 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.541 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -104.32 156.81 17.6 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.806 178.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.9 ttp85 -63.32 115.65 4.76 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.549 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.89 3.15 49.16 Favored Glycine 0 C--N 1.34 0.756 0 CA-C-O 119.473 -0.626 . . . . 0.0 114.363 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -78.86 140.46 38.15 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 117.903 0.851 . . . . 0.0 111.689 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.7 t -83.1 100.9 7.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.0 t -105.15 124.99 60.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 111.485 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -91.47 124.76 35.89 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.276 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.8 t -87.47 134.12 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -113.53 -28.08 7.65 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 57.1 p -153.47 158.44 41.36 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.506 ' HZ2' HD13 ' A' ' 22' ' ' ILE . 18.1 mttp -127.91 113.03 15.36 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.063 178.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.6 mt -69.22 151.97 45.65 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -113.79 -177.54 3.16 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.923 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.59 -132.96 11.68 Favored Glycine 0 C--N 1.34 0.772 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.586 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -72.66 -20.82 61.19 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.639 0.256 . . . . 0.0 110.814 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -105.47 46.91 1.11 Allowed Glycine 0 C--N 1.335 0.522 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.971 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -68.53 -26.69 65.56 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 122.499 0.32 . . . . 0.0 110.665 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 mp -89.58 -5.53 57.11 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.787 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -95.01 121.85 37.05 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.246 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 30.4 m0 -109.94 -172.9 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.29 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.466 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -160.57 158.1 29.56 Favored Glycine 0 C--N 1.336 0.528 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.371 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 166.6 -159.33 32.63 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 121.415 -0.421 . . . . 0.0 112.221 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 97.7 p -130.43 144.31 51.32 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.562 0.22 . . . . 0.0 110.692 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.5 p -89.17 133.0 32.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 CA-C-O 121.16 0.505 . . . . 0.0 111.333 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 . . . . . 0 CA--C 1.538 0.489 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.942 -179.644 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.359 0 CA-C-O 121.149 0.5 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -139.25 -22.96 0.91 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.427 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -106.34 3.88 27.99 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.685 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.0 mt 58.75 178.42 0.07 Allowed 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -174.56 130.32 1.76 Allowed Glycine 0 C--N 1.336 0.531 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.579 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.466 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 72.3 m-85 -85.53 148.1 26.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.993 0.425 . . . . 0.0 111.379 -178.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -151.6 155.74 34.28 Favored Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.887 -178.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -74.68 134.86 18.93 Favored 'Trans proline' 0 C--N 1.367 1.535 0 C-N-CA 122.201 1.934 . . . . 0.0 111.671 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 90.5 p -64.93 -17.52 64.43 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.864 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.9 t -66.31 -19.71 65.89 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 25.7 pt -97.25 -1.98 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.7 m -117.88 163.22 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-O 121.121 0.486 . . . . 0.0 112.162 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 64.4 ttt-85 -131.04 108.66 9.94 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.766 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -74.99 125.81 29.7 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.282 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -120.47 -34.08 3.71 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.493 ' NE2' HD23 ' A' ' 91' ' ' LEU . 1.1 tt0 -146.45 138.53 24.92 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.1 m -94.23 122.15 36.47 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.493 HD23 ' NE2' ' A' ' 89' ' ' GLN . 13.7 mt -84.87 -30.52 24.38 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.341 -178.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -161.38 125.98 2.08 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.583 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -51.21 144.17 30.69 Favored 'Trans proline' 0 C--N 1.374 1.889 0 C-N-CA 122.808 2.339 . . . . 0.0 114.023 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -122.42 83.83 0.36 Allowed Glycine 0 C--N 1.337 0.614 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.72 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.22 15.05 14.02 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.783 0.325 . . . . 0.0 110.807 -178.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.8 t -114.8 101.57 12.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.212 -178.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -76.07 125.84 29.88 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.595 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 23.1 t -125.0 132.31 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.977 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.408 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -73.54 169.12 17.9 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.955 179.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 72.9 p -98.78 154.82 17.71 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.416 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -109.9 -170.84 1.72 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.802 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.407 ' HB2' ' NZ ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -79.29 -21.41 46.04 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.38 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -81.24 -3.19 51.59 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.088 0.242 . . . . 0.0 111.652 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.69 -14.55 37.07 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.292 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -115.37 -34.97 4.77 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.302 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 20.9 t80 . . . . . 0 CA--C 1.531 0.217 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.549 -178.602 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.64 0 CA-C-O 119.621 -0.544 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.12 135.07 18.38 Favored 'Trans proline' 0 C--N 1.363 1.3 0 C-N-CA 122.548 2.166 . . . . 0.0 111.95 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.5 ppp? -149.54 163.23 25.84 Favored Pre-proline 0 CA--C 1.548 0.887 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.09 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -51.51 159.95 2.87 Favored 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 123.362 2.708 . . . . 0.0 114.191 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -75.83 153.92 36.52 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.616 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.639 HD11 HH21 ' A' ' 37' ' ' ARG . 68.7 mt -115.92 -35.59 4.4 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.647 178.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.79 -173.43 4.1 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.598 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -131.6 -44.28 1.0 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.487 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.8 mtt85 -129.8 158.17 40.18 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.078 0.466 . . . . 0.0 111.423 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.581 ' HB3' HD23 ' A' ' 53' ' ' LEU . 41.9 pttt -132.29 174.96 9.69 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.029 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.7 mt -119.9 120.71 37.21 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.57 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 62.9 m -122.17 -179.83 4.3 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.576 0.547 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.45 ' HB1' ' HG2' ' A' ' 92' ' ' LYS . . . -80.25 -27.83 38.59 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.558 179.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -149.27 173.83 13.06 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.466 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -65.91 -13.19 59.25 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -89.83 -21.4 22.6 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.2 m 57.15 31.32 19.8 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 121.637 0.732 . . . . 0.0 109.767 -177.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.9 t -100.44 -10.82 20.74 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.863 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -98.17 149.67 35.97 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.893 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -91.35 120.16 0.61 Allowed 'Trans proline' 0 C--N 1.368 1.555 0 C-N-CA 122.891 2.394 . . . . 0.0 111.625 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.5 mt -64.94 -64.96 0.61 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.159 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.546 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 61.2 p -138.04 141.43 40.36 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.482 ' HB2' HD11 ' A' ' 91' ' ' LEU . 15.2 tmm? -89.76 122.45 32.85 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.184 -0.916 . . . . 0.0 108.835 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.419 ' HB2' ' HG3' ' A' ' 87' ' ' GLU . . . -123.27 155.0 38.06 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.3 t -103.98 134.43 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.285 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.86 133.87 36.28 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.515 HD21 ' HB2' ' A' ' 86' ' ' ARG . 3.4 mm? -93.41 -21.54 19.46 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -179.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -152.93 -178.71 7.08 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.12 155.35 19.11 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.542 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -151.07 140.28 21.25 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.857 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.5 mmt -110.75 137.15 48.78 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.174 0.297 . . . . 0.0 110.455 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.26 111.5 34.22 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.92 -59.09 0.03 OUTLIER 'Trans proline' 0 C--N 1.364 1.385 0 C-N-CA 122.56 2.173 . . . . 0.0 112.123 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -91.43 170.62 9.81 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.022 0.439 . . . . 0.0 112.046 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.6 p -62.08 -25.83 67.93 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.639 HH21 HD11 ' A' ' 7' ' ' LEU . 15.8 mtm-85 -90.76 3.21 54.97 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -177.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -105.5 163.93 12.27 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.717 0.69 . . . . 0.0 112.737 -178.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.3 mt -115.03 151.58 33.97 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.59 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.3 m -103.96 109.58 21.39 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 57.8 mt -111.44 151.81 13.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.12 -177.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -115.98 152.53 33.31 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.885 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -63.06 124.55 21.43 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.648 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.69 -11.08 62.83 Favored Glycine 0 C--N 1.338 0.678 0 C-N-CA 120.942 -0.647 . . . . 0.0 114.013 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -74.22 154.17 39.13 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.428 0.614 . . . . 0.0 111.665 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 t -92.09 115.78 31.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.883 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.408 HG22 HG23 ' A' ' 65' ' ' VAL . 14.9 t -113.4 124.16 69.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-O 120.641 0.258 . . . . 0.0 110.843 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -95.29 126.62 40.72 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.883 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.5 t -87.79 129.95 38.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.86 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.419 ' HB2' ' HA2' ' A' ' 63' ' ' GLY . 19.1 m-85 -111.24 -28.59 8.19 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.31 0.381 . . . . 0.0 111.789 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.4 p -148.66 163.75 36.37 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -133.32 109.72 9.56 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.581 HD23 ' HB3' ' A' ' 11' ' ' LYS . 47.3 mt -67.76 152.67 45.21 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.517 0.199 . . . . 0.0 111.361 -178.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -122.79 178.52 4.99 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.05 -133.54 11.58 Favored Glycine 0 C--N 1.337 0.603 0 C-N-CA 121.182 -0.532 . . . . 0.0 112.741 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -35.56 62.91 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.618 0.247 . . . . 0.0 110.917 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -105.37 48.18 1.0 Allowed Glycine 0 C--N 1.335 0.505 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.936 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.2 ptt-85 -71.5 -8.41 53.76 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.622 HD23 ' H ' ' A' ' 59' ' ' LEU . 1.2 pt? -88.18 0.45 56.04 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.619 0.247 . . . . 0.0 110.795 179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -102.69 122.28 44.13 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.645 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 36.2 m0 -111.07 134.48 52.64 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -91.74 166.53 30.25 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.403 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.419 ' HA2' ' HB2' ' A' ' 50' ' ' PHE . . . 152.31 -167.74 31.36 Favored Glycine 0 C--N 1.333 0.377 0 N-CA-C 111.975 -0.45 . . . . 0.0 111.975 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.7 p -126.43 156.59 40.37 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.594 0.235 . . . . 0.0 111.039 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.408 HG23 HG22 ' A' ' 47' ' ' VAL . 5.1 p -104.43 128.67 57.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.106 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 . . . . . 0 CA--C 1.531 0.229 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.679 179.879 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.369 0 CA-C-O 120.976 0.417 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -96.19 -41.66 8.58 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.179 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.0 ppt_? -121.74 1.85 10.0 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.869 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 40.56 -157.63 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.953 1.301 . . . . 0.0 113.714 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -172.22 -159.33 18.41 Favored Glycine 0 C--N 1.345 1.028 0 C-N-CA 121.058 -0.591 . . . . 0.0 112.561 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -122.44 157.1 32.68 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 122.436 0.294 . . . . 0.0 110.619 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -155.95 151.51 21.9 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.931 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -72.39 132.24 18.88 Favored 'Trans proline' 0 C--N 1.367 1.547 0 C-N-CA 122.255 1.97 . . . . 0.0 111.614 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 92.1 p -63.78 -23.19 67.26 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.404 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.2 p -65.88 -23.16 66.59 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.5 pt -95.35 -1.33 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.8 m -120.64 140.81 43.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 121.043 0.449 . . . . 0.0 111.987 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.515 ' HB2' HD21 ' A' ' 28' ' ' LEU . 79.3 ttt180 -112.22 112.39 23.96 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.011 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.419 ' HG3' ' HB2' ' A' ' 25' ' ' ALA . 37.2 mp0 -88.64 116.73 27.1 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.822 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -115.09 -27.98 7.14 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.562 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.633 HE22 HD23 ' A' ' 91' ' ' LEU . 0.9 OUTLIER -135.25 140.46 45.24 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -179.37 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.2 m -106.72 124.55 49.78 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.442 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.633 HD23 HE22 ' A' ' 89' ' ' GLN . 9.5 mt -86.48 -32.51 20.75 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.45 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -154.74 132.85 6.72 Favored Pre-proline 0 CA--C 1.542 0.659 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.075 -179.545 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 92' ' ' LYS . 50.6 Cg_exo -61.27 128.88 26.37 Favored 'Trans proline' 0 C--N 1.365 1.419 0 C-N-CA 123.012 2.474 . . . . 0.0 113.707 -179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.444 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -101.7 89.92 0.8 Allowed Glycine 0 C--N 1.335 0.497 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -129.9 28.95 5.03 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 44.5 t -121.27 143.79 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.896 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -111.0 119.02 37.67 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.669 0.271 . . . . 0.0 111.5 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 12.6 t -127.47 135.14 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.11 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -81.07 160.82 24.4 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.569 0.223 . . . . 0.0 111.257 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 81.7 p -94.39 161.99 14.01 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.044 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -98.74 -179.61 4.35 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.726 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.29 -21.09 36.31 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.362 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -80.21 -10.86 59.77 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.988 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -79.93 -14.51 58.55 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.05 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -116.71 -36.06 4.01 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.971 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 28.2 t80 . . . . . 0 CA--C 1.534 0.349 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.274 -178.689 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.494 0 CA-C-O 119.765 -0.464 . . . . 0.0 113.35 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -84.54 136.88 6.58 Favored 'Trans proline' 0 C--N 1.363 1.299 0 C-N-CA 122.875 2.383 . . . . 0.0 112.557 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -151.96 159.63 32.73 Favored Pre-proline 0 CA--C 1.543 0.691 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.655 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -47.42 142.38 12.97 Favored 'Trans proline' 0 C--N 1.377 2.062 0 C-N-CA 123.082 2.521 . . . . 0.0 113.922 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -83.44 166.92 17.95 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.428 -179.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 47.3 mt -93.99 -40.95 9.83 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.39 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.28 -171.53 3.86 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.949 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -119.33 -32.37 4.39 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.597 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.615 ' HG2' ' HG3' ' A' ' 99' ' ' LYS . 98.9 mtt180 -129.21 157.98 40.31 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.972 0.415 . . . . 0.0 111.259 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.668 ' HB3' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -146.45 152.17 38.6 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.593 -179.615 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -91.66 144.86 25.09 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.489 ' HA ' HD11 ' A' ' 22' ' ' ILE . 75.5 m -141.25 166.29 25.17 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.987 0.804 . . . . 0.0 110.228 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.82 -35.21 60.07 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.871 0.367 . . . . 0.0 110.227 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.8 p-10 -131.05 169.44 15.85 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.428 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -69.16 -13.95 62.71 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.938 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -90.58 -15.87 29.79 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.602 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 75.5 m 57.55 28.15 15.16 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.469 0.652 . . . . 0.0 110.349 -178.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.2 t -102.84 6.59 39.29 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.75 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -112.63 150.02 42.06 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.1 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -90.23 116.81 0.62 Allowed 'Trans proline' 0 C--N 1.367 1.537 0 C-N-CA 122.884 2.39 . . . . 0.0 111.996 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.489 HD11 ' HA ' ' A' ' 13' ' ' CYS . 55.8 mt -64.11 -68.41 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.986 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 p -131.94 152.67 50.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.29 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.432 ' HB3' ' NE2' ' A' ' 89' ' ' GLN . 15.1 tmm? -107.82 123.07 48.02 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.717 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.452 ' HB2' ' CD ' ' A' ' 87' ' ' GLU . . . -123.49 148.66 46.01 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -178.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.5 t -99.61 133.49 42.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.837 178.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.27 135.68 46.07 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.743 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.447 HD11 ' HB2' ' A' ' 86' ' ' ARG . 69.6 mt -97.32 -19.11 18.74 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.464 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -149.25 -176.04 5.22 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -90.49 150.83 21.63 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.329 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -151.38 136.9 17.79 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.527 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.404 ' HA ' HG23 ' A' ' 40' ' ' THR . 26.5 mmt -112.32 141.93 45.44 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.282 178.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.01 108.98 29.63 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -78.01 -51.81 0.07 OUTLIER 'Trans proline' 0 C--N 1.368 1.576 0 C-N-CA 122.706 2.271 . . . . 0.0 112.38 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -90.25 164.71 14.28 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.442 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.1 p -64.24 -25.78 68.21 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.4 ptt85 -92.57 5.78 49.65 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -98.6 162.29 13.21 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 117.787 0.267 . . . . 0.0 110.752 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.455 HD22 HG12 ' A' ' 65' ' ' VAL . 34.0 mt -116.69 136.21 53.15 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.404 HG23 ' HA ' ' A' ' 32' ' ' MET . 51.1 m -90.33 111.32 22.49 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.6 mt -114.48 151.24 16.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.441 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -116.19 154.98 29.1 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.202 178.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -64.18 116.75 6.27 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.548 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.81 -0.06 52.19 Favored Glycine 0 C--N 1.339 0.703 0 C-N-CA 121.089 -0.576 . . . . 0.0 114.173 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -83.12 152.15 25.43 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 117.519 0.66 . . . . 0.0 111.848 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.2 t -88.32 114.71 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.96 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.626 HG22 HG23 ' A' ' 65' ' ' VAL . 6.8 t -116.22 133.47 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 120.677 0.275 . . . . 0.0 111.082 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -102.76 130.25 49.67 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.801 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.8 t -94.5 125.79 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.213 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -107.87 -29.87 8.82 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.6 p -145.43 143.56 30.12 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.594 0.591 . . . . 0.0 112.594 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -119.39 110.08 16.53 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.137 178.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.668 HD23 ' HB3' ' A' ' 11' ' ' LYS . 20.8 mt -71.13 151.96 43.92 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -178.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -115.4 -133.48 0.34 Allowed 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.876 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.78 -136.35 38.45 Favored Glycine 0 C--N 1.35 1.322 0 C-N-CA 121.529 -0.367 . . . . 0.0 113.32 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -86.87 -0.7 56.93 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.618 0.246 . . . . 0.0 110.705 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -132.77 60.79 0.66 Allowed Glycine 0 C--N 1.335 0.498 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.035 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.448 ' NE ' ' H ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -71.91 -6.22 40.28 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.122 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.3 pp -96.84 1.36 50.55 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.573 0.225 . . . . 0.0 110.93 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -96.81 122.08 39.38 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.055 0.455 . . . . 0.0 110.794 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 35.4 m0 -110.95 -178.9 3.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.619 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -163.49 163.58 35.72 Favored Glycine 0 C--N 1.333 0.415 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.21 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 161.63 -142.56 8.12 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 121.104 -0.57 . . . . 0.0 112.249 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.2 p -132.95 133.04 42.67 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.567 0.223 . . . . 0.0 110.635 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.626 HG23 HG22 ' A' ' 47' ' ' VAL . 6.5 p -92.33 127.41 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-O 121.209 0.528 . . . . 0.0 111.553 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 . . . . . 0 C--O 1.235 0.301 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.472 179.469 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.373 0 CA-C-O 120.964 0.411 . . . . 0.0 111.413 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -140.25 -0.42 1.63 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.605 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -108.35 -19.3 13.51 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 71.8 mt 56.93 104.22 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.881 0 O-C-N 124.388 1.055 . . . . 0.0 112.472 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.435 ' HA3' ' HG ' ' A' ' 39' ' ' LEU . . . -110.12 -161.4 18.49 Favored Glycine 0 C--N 1.334 0.423 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.104 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.432 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 54.9 m-85 -132.76 156.78 46.44 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 120.87 0.367 . . . . 0.0 111.123 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -156.05 150.4 19.97 Favored Pre-proline 0 CA--C 1.541 0.619 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.724 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -74.38 137.03 22.65 Favored 'Trans proline' 0 C--N 1.367 1.509 0 C-N-CA 122.388 2.059 . . . . 0.0 111.998 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 97.4 p -65.32 -20.69 66.52 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.341 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.5 t -65.78 -22.85 66.61 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.0 pt -96.67 -2.76 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.1 m -115.66 152.02 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.988 0.423 . . . . 0.0 111.888 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.447 ' HB2' HD11 ' A' ' 28' ' ' LEU . 60.1 ttt180 -124.22 110.72 15.01 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.511 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.452 ' CD ' ' HB2' ' A' ' 25' ' ' ALA . 57.9 mm-40 -75.18 128.64 35.94 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.9 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.59 -38.11 5.28 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.853 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.432 ' NE2' ' HB3' ' A' ' 24' ' ' MET . 0.4 OUTLIER -149.83 170.01 19.76 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -179.582 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.1 m -123.63 131.59 53.65 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.251 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.7 mt -88.4 -44.14 10.97 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.946 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.419 ' HE2' ' HB3' ' A' ' 92' ' ' LYS . 17.3 mtpt -144.38 135.74 12.65 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.817 178.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -61.5 128.61 25.29 Favored 'Trans proline' 0 C--N 1.366 1.492 0 C-N-CA 122.991 2.461 . . . . 0.0 113.334 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -96.8 88.44 0.99 Allowed Glycine 0 C--N 1.334 0.468 0 N-CA-C 111.434 -0.667 . . . . 0.0 111.434 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -128.66 19.0 6.21 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.6 t -107.57 108.81 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -80.43 111.43 16.83 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.153 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 32.1 t -122.95 133.1 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.019 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.615 ' HG3' ' HG2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -79.34 157.73 27.61 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.173 179.789 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 71.0 p -91.98 155.27 18.25 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -106.42 -175.45 2.8 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.736 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -68.87 -35.21 76.63 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.103 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -87.88 45.72 1.31 Allowed 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.032 0.444 . . . . 0.0 112.046 -178.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -124.85 -29.68 3.36 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.508 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -122.11 38.22 4.18 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.264 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.3 t80 . . . . . 0 CA--C 1.533 0.323 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.856 -179.279 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.553 0 CA-C-O 119.612 -0.549 . . . . 0.0 112.709 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -82.4 130.04 6.05 Favored 'Trans proline' 0 C--N 1.362 1.249 0 C-N-CA 122.577 2.184 . . . . 0.0 112.193 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.1 ptm -145.42 157.45 52.51 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.75 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.66 168.93 3.64 Favored 'Trans proline' 0 C--N 1.374 1.891 0 C-N-CA 122.792 2.328 . . . . 0.0 113.651 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -72.46 155.17 40.39 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.829 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.1 tp -109.04 -20.51 13.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.162 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -154.06 170.55 20.86 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.53 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -99.26 -61.22 1.4 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.384 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' A' ' 99' ' ' LYS . 99.8 mtt180 -125.37 164.25 20.81 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.24 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.7 pttt -143.85 166.38 25.09 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.674 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' A' ' 51' ' ' SER . 3.7 mm? -98.07 129.07 44.92 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.767 178.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 78.6 m -133.01 171.9 13.35 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.841 0.713 . . . . 0.0 110.64 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.521 ' HB1' ' HG2' ' A' ' 92' ' ' LYS . . . -81.23 -33.59 32.76 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.438 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -139.8 173.97 10.99 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.825 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -66.13 -17.14 64.52 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.666 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -89.51 -19.28 25.24 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 91.0 m 58.34 26.71 14.36 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.428 0.632 . . . . 0.0 109.797 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.2 t -95.91 -12.92 24.38 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.626 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -95.33 150.55 37.74 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.773 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -90.88 124.35 0.95 Allowed 'Trans proline' 0 C--N 1.367 1.52 0 C-N-CA 122.897 2.398 . . . . 0.0 111.954 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.2 mt -66.97 -62.56 1.19 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.003 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.1 t -141.92 144.41 33.76 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.997 0.427 . . . . 0.0 111.814 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.465 ' HB2' HD11 ' A' ' 91' ' ' LEU . 15.5 tmm? -89.18 114.93 26.28 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.21 147.36 39.07 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -178.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.9 t -97.13 139.35 19.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.136 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.44 138.24 34.45 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.235 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 86' ' ' ARG . 6.1 mp -99.7 -39.08 8.43 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -179.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.447 ' HA ' ' HB3' ' A' ' 43' ' ' ARG . 1.5 pt20 -138.55 168.14 20.42 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -71.8 153.56 41.86 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.349 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -151.58 125.73 9.27 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.169 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -101.6 131.31 47.87 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.164 0.29 . . . . 0.0 110.237 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . . . -105.63 124.31 36.62 Favored Pre-proline 0 CA--C 1.533 0.327 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 3.8 Cg_exo -78.14 -61.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.366 1.458 0 C-N-CA 122.694 2.263 . . . . 0.0 112.09 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -91.31 165.62 13.34 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.472 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.0 t -64.22 -22.82 67.08 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.318 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -61.42 -24.39 66.49 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.988 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -109.59 166.88 10.56 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.609 0.242 . . . . 0.0 111.222 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.434 ' HG ' ' HA3' ' A' ' 78' ' ' GLY . 28.1 mt -116.62 136.43 52.98 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.151 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 53.2 m -88.78 108.23 19.39 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.4 mt -110.24 139.05 35.35 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -176.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 54.9 m170 -103.99 137.17 42.35 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 177.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.447 ' HB3' ' HA ' ' A' ' 29' ' ' GLN . 9.4 ptm180 -60.56 132.37 53.68 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.143 0.497 . . . . 0.0 112.161 -178.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.55 -14.33 59.28 Favored Glycine 0 C--N 1.336 0.574 0 CA-C-N 115.418 -0.81 . . . . 0.0 113.158 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -78.28 166.16 23.03 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.019 0.438 . . . . 0.0 111.854 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 t -96.99 121.16 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.963 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.1 t -119.81 121.79 67.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 O-C-N 123.125 0.266 . . . . 0.0 110.354 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -92.25 125.95 37.13 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.809 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.3 t -87.91 129.15 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.067 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -112.27 -33.81 6.1 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.457 ' HA ' ' O ' ' A' ' 12' ' ' LEU . 71.0 p -147.05 150.01 34.22 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -178.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -119.22 115.71 24.77 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.364 -0.835 . . . . 0.0 108.763 177.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.4 mt -66.83 148.46 51.9 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -116.51 -27.47 6.73 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.522 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -67.9 -111.12 0.02 OUTLIER Glycine 0 C--N 1.339 0.734 0 N-CA-C 113.954 0.341 . . . . 0.0 113.954 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -86.94 12.2 11.74 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.777 0.322 . . . . 0.0 110.928 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -124.4 58.96 0.64 Allowed Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.058 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -55.5 -53.19 59.48 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.057 0.456 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.3 mt -97.99 18.14 16.67 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.076 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -111.26 124.59 52.53 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.37 0.605 . . . . 0.0 111.353 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 45.2 m0 -109.46 -171.37 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.091 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -163.15 163.3 35.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.395 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 164.8 -144.09 9.06 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 112.121 -0.392 . . . . 0.0 112.121 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.1 m -140.78 142.01 34.74 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.692 0.282 . . . . 0.0 110.407 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 43.5 t -90.5 131.74 36.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.321 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 . . . . . 0 CA--C 1.533 0.315 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.437 179.074 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.328 0 CA-C-O 120.8 0.333 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.81 -46.44 36.75 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.922 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.94 154.58 21.96 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.832 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.76 133.39 34.72 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.231 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.434 ' HA3' ' HG ' ' A' ' 39' ' ' LEU . . . -128.19 179.62 16.43 Favored Glycine 0 C--N 1.337 0.62 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.027 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -126.35 157.42 38.51 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.891 0.346 . . . . 0.0 111.092 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -154.6 153.96 28.59 Favored Pre-proline 0 CA--C 1.542 0.657 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.236 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo -72.36 137.2 27.84 Favored 'Trans proline' 0 C--N 1.369 1.626 0 C-N-CA 122.397 2.065 . . . . 0.0 112.092 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 93.7 p -64.69 -23.4 67.24 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.674 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.4 m -65.62 -18.63 65.46 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.9 pt -101.97 0.98 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.9 m -122.84 155.5 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-O 120.813 0.339 . . . . 0.0 111.565 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.487 ' HB2' HD11 ' A' ' 28' ' ' LEU . 53.0 ttt85 -133.64 108.42 8.55 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.474 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -67.97 124.12 22.51 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.394 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -111.03 -47.24 3.23 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.584 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.539 HE22 HD23 ' A' ' 91' ' ' LEU . 1.2 tm0? -138.78 129.11 25.73 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.2 m -83.79 122.01 28.09 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.698 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.539 HD23 HE22 ' A' ' 89' ' ' GLN . 10.5 mt -86.05 -29.75 23.17 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.169 -178.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.521 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -155.54 132.78 6.38 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.031 -179.688 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -60.46 125.97 18.77 Favored 'Trans proline' 0 C--N 1.366 1.472 0 C-N-CA 123.075 2.517 . . . . 0.0 113.684 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.435 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -97.58 93.3 1.4 Allowed Glycine 0 C--N 1.335 0.481 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.246 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -137.61 29.09 2.66 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -178.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.7 t -124.03 115.06 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.149 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -85.36 116.72 23.85 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.457 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 16.7 t -128.62 137.98 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.107 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 2.9 pptp? -78.38 168.17 20.22 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.88 -0.145 . . . . 0.0 111.205 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 76.5 p -91.55 146.52 23.72 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.838 0.352 . . . . 0.0 111.304 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -101.59 -174.92 2.71 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.478 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.57 -16.1 52.7 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -81.0 -8.88 59.88 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.728 0.299 . . . . 0.0 110.813 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -80.55 -22.19 41.05 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.598 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -126.85 35.05 4.67 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.78 0.324 . . . . 0.0 110.879 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.9 t80 . . . . . 0 CA--C 1.533 0.326 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.406 -179.359 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.649 0 CA-C-O 119.695 -0.503 . . . . 0.0 112.698 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -77.25 142.55 21.53 Favored 'Trans proline' 0 C--N 1.362 1.256 0 C-N-CA 122.567 2.178 . . . . 0.0 112.514 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 13.0 ptm -154.67 163.76 23.21 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.439 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -45.36 143.73 5.24 Favored 'Trans proline' 0 C--N 1.381 2.246 0 C-N-CA 122.813 2.342 . . . . 0.0 113.568 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 7' ' ' LEU . 28.9 mtpp -78.39 -12.43 60.0 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.594 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.47 HD23 ' CZ ' ' A' ' 37' ' ' ARG . 4.0 mm? 76.42 -48.32 0.56 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.225 1.01 . . . . 0.0 110.943 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.85 -160.16 1.09 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.041 0.536 . . . . 0.0 110.074 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -125.91 -38.86 2.15 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 120.448 0.166 . . . . 0.0 111.134 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.428 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 8.0 mpt_? -122.52 162.17 22.26 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.761 0.315 . . . . 0.0 111.264 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.498 ' HB3' HD23 ' A' ' 53' ' ' LEU . 18.4 pttp -132.15 168.49 17.92 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.329 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 51' ' ' SER . 73.6 mt -115.94 131.73 56.85 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.333 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 71.7 m -132.98 168.66 18.07 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 123.504 0.502 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.45 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -76.15 -37.1 58.38 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.088 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.423 ' HA ' HG21 ' A' ' 96' ' ' VAL . 1.5 p30 -139.6 174.01 10.95 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.818 178.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -67.56 -9.86 46.54 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -179.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -91.45 -21.33 20.99 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 111.49 0.181 . . . . 0.0 111.49 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.6 m 57.96 31.73 21.0 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.691 0.758 . . . . 0.0 109.793 -177.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.9 t -100.03 -13.64 18.97 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.845 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -98.48 153.4 38.0 Favored Pre-proline 0 CA--C 1.537 0.477 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.933 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -92.64 130.67 0.95 Allowed 'Trans proline' 0 C--N 1.37 1.661 0 C-N-CA 122.946 2.43 . . . . 0.0 112.027 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.2 mt -73.75 -62.48 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.109 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.4 p -139.64 148.81 42.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.933 0.397 . . . . 0.0 111.921 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.435 ' HB2' HD11 ' A' ' 91' ' ' LEU . 15.3 tmm? -98.52 119.29 36.97 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.959 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.49 149.99 41.54 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.5 t -100.07 134.75 38.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.622 178.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.22 132.64 44.36 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.794 0.33 . . . . 0.0 111.346 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.457 HD11 ' HB2' ' A' ' 86' ' ' ARG . 83.8 mt -94.01 -24.62 17.57 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.737 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -149.25 -174.93 4.79 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -91.17 151.21 21.05 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.436 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -151.41 136.69 17.6 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.343 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.4 ' HA ' HG23 ' A' ' 40' ' ' THR . 26.4 mmt -116.1 137.33 52.22 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.235 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.96 110.41 59.25 Favored Pre-proline 0 CA--C 1.535 0.39 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -178.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -74.47 -55.02 0.09 OUTLIER 'Trans proline' 0 C--N 1.363 1.326 0 C-N-CA 122.408 2.072 . . . . 0.0 111.515 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -91.44 161.77 14.85 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.775 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.4 p -61.39 -26.21 67.7 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.804 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.47 ' CZ ' HD23 ' A' ' 7' ' ' LEU . 1.9 tmt_? -68.68 -29.5 67.96 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.528 -178.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -89.94 168.81 11.74 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.452 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.557 HD21 HG23 ' A' ' 65' ' ' VAL . 57.7 tp -125.17 136.88 54.03 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.419 -179.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.4 HG23 ' HA ' ' A' ' 32' ' ' MET . 28.6 m -89.37 121.89 32.07 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 70.5 mt -127.73 147.19 32.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.164 -178.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -112.88 152.51 29.19 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.199 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.9 ttp85 -62.93 120.93 12.29 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.639 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.92 -7.34 57.25 Favored Glycine 0 C--N 1.338 0.674 0 C-N-CA 120.99 -0.624 . . . . 0.0 114.102 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -79.94 152.41 29.57 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 117.49 0.645 . . . . 0.0 111.694 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.9 t -87.48 122.79 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.761 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.403 HG22 HG22 ' A' ' 65' ' ' VAL . 21.5 t -126.45 124.22 64.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 120.684 0.278 . . . . 0.0 111.218 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -95.11 128.55 42.03 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.184 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.8 t -92.0 127.58 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.254 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -108.13 -33.23 7.22 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.832 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 12' ' ' LEU . 61.4 p -136.83 142.33 42.87 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -179.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.3 mttm -125.77 111.01 14.39 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.121 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.498 HD23 ' HB3' ' A' ' 11' ' ' LYS . 83.8 mt -68.72 156.66 37.84 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -178.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -140.42 153.96 46.5 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.74 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.93 -104.79 1.7 Allowed Glycine 0 C--N 1.335 0.502 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.869 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -85.77 -24.66 26.77 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.465 0.174 . . . . 0.0 111.053 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -132.07 58.08 0.71 Allowed Glycine 0 C--N 1.336 0.538 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.666 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.464 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -72.22 -12.79 61.32 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 179.77 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.5 mt -90.01 5.21 47.58 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -110.59 119.06 37.94 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.143 0.497 . . . . 0.0 111.261 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -111.85 -175.67 2.75 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.405 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.4 158.07 30.58 Favored Glycine 0 C--N 1.338 0.665 0 C-N-CA 120.69 -0.767 . . . . 0.0 113.048 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 172.89 -148.72 10.69 Favored Glycine 0 C--N 1.337 0.607 0 C-N-CA 121.481 -0.39 . . . . 0.0 112.681 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.473 ' HB2' ' HA ' ' A' ' 74' ' ' ALA . 88.6 p -128.35 164.17 23.23 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 122.36 0.264 . . . . 0.0 110.561 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.557 HG23 HD21 ' A' ' 39' ' ' LEU . 60.3 t -112.39 121.16 64.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-O 120.779 0.324 . . . . 0.0 111.611 -179.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 . . . . . 0 C--O 1.234 0.28 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.025 178.706 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.473 ' HA ' ' HB2' ' A' ' 64' ' ' SER . . . . . . . . 0 C--O 1.235 0.317 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.14 -35.97 78.94 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.786 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -97.92 153.98 17.97 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.243 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.3 mt -117.96 123.36 45.58 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.025 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.524 ' HA3' ' HB2' ' A' ' 39' ' ' LEU . . . -114.96 175.01 15.69 Favored Glycine 0 C--N 1.334 0.421 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.758 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -122.72 144.71 48.98 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.09 0.472 . . . . 0.0 111.314 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -147.48 156.05 45.65 Favored Pre-proline 0 CA--C 1.541 0.617 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.221 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.415 ' O ' HG12 ' A' ' 84' ' ' ILE . 11.2 Cg_exo -71.05 139.47 35.84 Favored 'Trans proline' 0 C--N 1.367 1.539 0 C-N-CA 122.18 1.92 . . . . 0.0 111.424 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.8 p -63.14 -21.82 66.45 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.788 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.4 p -65.66 -21.43 66.55 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 81' ' ' PRO . 27.7 pt -91.56 -1.68 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.0 m -125.14 154.0 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.457 ' HB2' HD11 ' A' ' 28' ' ' LEU . 67.3 ttt-85 -125.27 116.51 22.07 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.718 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -78.88 122.15 25.75 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.399 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -105.7 -36.97 6.89 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.286 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.589 HE22 HD23 ' A' ' 91' ' ' LEU . 1.4 tt0 -147.7 141.66 25.89 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.8 m -98.34 123.83 42.66 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 177.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.589 HD23 HE22 ' A' ' 89' ' ' GLN . 8.2 mt -84.86 -39.16 18.6 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -177.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -152.91 135.24 9.06 Favored Pre-proline 0 CA--C 1.544 0.722 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -53.73 134.55 59.09 Favored 'Trans proline' 0 C--N 1.372 1.763 0 C-N-CA 123.587 2.858 . . . . 0.0 114.364 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.45 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -110.73 87.14 0.46 Allowed Glycine 0 C--N 1.335 0.488 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 178.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.9 ptpp? -130.24 34.82 4.16 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.423 HG21 ' HA ' ' A' ' 15' ' ' ASP . 60.8 t -122.42 107.54 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 120.894 0.378 . . . . 0.0 110.005 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -84.32 120.75 26.62 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.194 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.54 129.79 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.248 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.428 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 9.8 mtmp? -79.09 152.13 31.01 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.325 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.3 p -95.51 161.33 14.11 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.574 0.226 . . . . 0.0 110.986 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -119.34 -173.65 2.56 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.126 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -70.29 -35.31 73.62 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.975 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -94.38 56.64 2.17 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.386 0.612 . . . . 0.0 111.312 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.76 -51.13 1.59 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.84 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -118.84 63.44 0.78 Allowed 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.076 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 11.0 t80 . . . . . 0 CA--C 1.534 0.359 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.233 -178.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.6 0 CA-C-O 119.619 -0.545 . . . . 0.0 112.874 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -81.18 129.73 6.94 Favored 'Trans proline' 0 C--N 1.361 1.227 0 C-N-CA 122.624 2.216 . . . . 0.0 112.33 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -144.32 158.62 54.27 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.746 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -50.86 144.73 26.17 Favored 'Trans proline' 0 C--N 1.377 2.033 0 C-N-CA 123.283 2.656 . . . . 0.0 113.83 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -89.59 172.87 8.65 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.222 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.456 HD21 ' CZ ' ' A' ' 37' ' ' ARG . 1.4 mm? -93.19 -43.9 8.61 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.61 -159.46 1.02 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.204 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -123.61 -34.56 3.04 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.767 -0.197 . . . . 0.0 111.189 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.416 ' HE ' ' NZ ' ' A' ' 99' ' ' LYS . 64.8 mtt85 -126.06 159.86 31.63 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.086 0.47 . . . . 0.0 111.871 -179.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.703 ' HB3' HD23 ' A' ' 53' ' ' LEU . 43.3 pttt -136.79 171.45 14.48 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.643 -179.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' A' ' 51' ' ' SER . 4.1 mm? -110.18 127.62 55.03 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.082 178.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.403 ' HA ' HD11 ' A' ' 22' ' ' ILE . 75.2 m -134.04 166.83 21.82 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.606 0.566 . . . . 0.0 110.187 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.432 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -76.56 -39.0 54.06 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.014 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -129.5 172.11 11.89 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.381 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -68.26 -18.56 64.57 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.67 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -88.54 -20.89 24.47 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.268 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.4 t 58.05 29.16 17.36 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 124.146 0.903 . . . . 0.0 109.49 -178.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 t -92.75 -5.14 51.87 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.185 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -101.76 148.03 34.7 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.48 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -89.7 120.38 0.94 Allowed 'Trans proline' 0 C--N 1.367 1.529 0 C-N-CA 122.693 2.262 . . . . 0.0 111.454 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.403 HD11 ' HA ' ' A' ' 13' ' ' CYS . 60.4 mt -64.6 -65.71 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.435 -179.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.8 m -141.24 146.57 37.02 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.119 0.485 . . . . 0.0 112.143 -178.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.421 ' HB2' HD11 ' A' ' 91' ' ' LEU . 16.0 tmm? -93.47 123.55 36.85 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.462 179.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.19 148.11 44.07 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.913 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.9 t -98.02 137.64 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.457 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.74 133.16 35.62 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.488 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 mp -100.25 -16.79 17.61 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.413 ' HA ' ' HE ' ' A' ' 43' ' ' ARG . 1.8 pt20 -151.9 173.59 14.62 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -80.64 148.85 30.07 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.157 -0.928 . . . . 0.0 111.524 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -152.02 138.76 18.84 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.611 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.401 ' HA ' HG23 ' A' ' 40' ' ' THR . 97.0 mmm -115.21 142.19 47.0 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.348 0.405 . . . . 0.0 110.077 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.2 108.66 25.68 Favored Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -81.01 -49.37 0.06 OUTLIER 'Trans proline' 0 C--N 1.365 1.435 0 C-N-CA 122.678 2.252 . . . . 0.0 112.479 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -90.39 164.17 14.41 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.4 t -61.45 -35.68 78.27 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.54 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.456 ' CZ ' HD21 ' A' ' 7' ' ' LEU . 42.9 ptt85 -88.09 12.36 13.77 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -178.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -103.68 161.07 14.22 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.609 0.243 . . . . 0.0 111.118 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.417 ' HG ' ' HA3' ' A' ' 78' ' ' GLY . 36.5 mt -118.95 143.35 47.08 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.401 HG23 ' HA ' ' A' ' 32' ' ' MET . 48.3 m -95.71 116.87 29.5 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.0 mt -122.31 132.53 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.084 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -94.01 157.76 15.95 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.794 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.413 ' HE ' ' HA ' ' A' ' 29' ' ' GLN . 32.0 ttm180 -63.96 115.12 4.58 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.573 -178.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.61 7.49 53.62 Favored Glycine 0 C--N 1.339 0.7 0 C-N-CA 121.005 -0.617 . . . . 0.0 114.257 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -83.44 150.86 25.78 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 117.877 0.838 . . . . 0.0 112.046 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 56.2 t -86.14 120.17 35.55 Favored 'Isoleucine or valine' 0 C--O 1.23 0.042 0 CA-C-N 114.993 -1.003 . . . . 0.0 108.956 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.0 t -123.72 125.87 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.697 0.284 . . . . 0.0 111.21 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -91.92 123.79 35.55 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.672 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.2 t -90.36 124.45 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.326 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -107.32 -35.9 6.67 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.076 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 12' ' ' LEU . 68.8 p -140.48 144.38 36.0 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -178.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -124.46 110.64 14.76 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.205 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.703 HD23 ' HB3' ' A' ' 11' ' ' LYS . 41.5 mt -71.69 154.35 41.42 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -112.18 -134.49 0.35 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.692 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 60.54 -143.5 47.93 Favored Glycine 0 C--N 1.351 1.397 0 N-CA-C 114.117 0.407 . . . . 0.0 114.117 179.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -77.81 -22.75 49.57 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.324 -0.438 . . . . 0.0 111.259 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -113.34 52.44 0.64 Allowed Glycine 0 C--N 1.335 0.497 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.927 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.6 ptt-85 -72.44 -6.92 46.97 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 75.8 mt -87.22 -2.2 58.45 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.308 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -98.75 119.44 37.5 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 121.417 0.627 . . . . 0.0 111.548 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 33.3 m0 -106.26 -175.31 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.035 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.425 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -166.54 164.93 38.04 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.804 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 157.36 -145.25 11.65 Favored Glycine 0 C--N 1.335 0.525 0 C-N-CA 121.511 -0.376 . . . . 0.0 112.215 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 97.7 p -126.84 162.68 25.33 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.6 p -117.33 130.83 71.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-O 121.394 0.616 . . . . 0.0 112.265 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 . . . . . 0 C--O 1.233 0.199 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.177 179.367 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.245 0 CA-C-O 120.458 0.17 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.44 -35.32 75.56 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.515 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.1 148.35 26.92 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.088 179.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.5 mt -110.32 133.05 53.64 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.57 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.417 ' HA3' ' HG ' ' A' ' 39' ' ' LEU . . . -122.45 -167.75 13.06 Favored Glycine 0 C--N 1.335 0.488 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.805 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.425 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 40.7 m-85 -130.81 156.78 44.41 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.836 0.351 . . . . 0.0 111.05 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -153.74 150.19 22.55 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.753 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.415 ' O ' HG12 ' A' ' 84' ' ' ILE . 7.5 Cg_exo -73.59 135.62 22.25 Favored 'Trans proline' 0 C--N 1.365 1.443 0 C-N-CA 122.285 1.99 . . . . 0.0 111.772 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.9 p -64.82 -20.04 66.18 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.719 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.3 p -66.43 -19.58 65.83 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 81' ' ' PRO . 28.3 pt -96.78 -3.59 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -179.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.405 HG13 HG13 ' A' ' 84' ' ' ILE . 26.2 m -120.06 162.5 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 121.172 0.51 . . . . 0.0 112.042 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -134.88 115.58 13.78 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.633 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -79.23 144.89 33.95 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.271 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -146.84 -30.86 0.35 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.565 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -135.77 141.05 44.75 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 49.6 m -107.17 124.12 49.26 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.799 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.421 HD11 ' HB2' ' A' ' 24' ' ' MET . 22.0 mt -87.83 -22.59 24.39 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.846 -178.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -167.06 129.23 1.33 Allowed Pre-proline 0 CA--C 1.542 0.645 0 O-C-N 123.526 0.517 . . . . 0.0 110.152 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -54.28 123.76 14.37 Favored 'Trans proline' 0 C--N 1.371 1.751 0 C-N-CA 122.452 2.101 . . . . 0.0 113.401 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -104.98 93.19 0.9 Allowed Glycine 0 C--N 1.335 0.519 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 178.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.55 33.08 2.04 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.6 t -121.51 112.09 33.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.088 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -78.67 118.66 20.97 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.264 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 16.2 t -125.27 132.13 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.944 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.416 ' NZ ' ' HE ' ' A' ' 10' ' ' ARG . 55.8 mttm -74.47 160.71 30.6 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.641 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.8 p -100.88 167.99 9.93 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.641 0.258 . . . . 0.0 110.612 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -119.33 -179.57 3.89 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.494 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -77.51 -27.17 51.7 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.344 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -74.11 -17.15 60.98 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.239 0.337 . . . . 0.0 111.151 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -78.08 -21.19 50.92 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.404 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -129.59 47.22 2.52 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.453 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.6 t80 . . . . . 0 N--CA 1.469 0.516 0 CA-C-O 120.945 0.402 . . . . 0.0 111.172 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.376 0 CA-C-O 119.476 -0.625 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.541 ' HA ' HH22 ' A' ' 37' ' ' ARG . 21.3 Cg_endo -90.23 130.44 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 122.888 2.392 . . . . 0.0 113.222 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 13.3 ptt? -138.22 171.66 7.96 Favored Pre-proline 0 CA--C 1.549 0.933 0 CA-C-O 118.379 -0.819 . . . . 0.0 109.166 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -46.23 139.12 12.53 Favored 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 122.474 2.116 . . . . 0.0 113.57 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -63.48 -24.99 68.06 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.356 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.4 mt 77.64 -46.04 0.46 Allowed 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.323 1.049 . . . . 0.0 111.568 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -143.56 169.87 16.9 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 122.488 0.315 . . . . 0.0 110.744 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -109.52 -42.51 4.3 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.374 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.471 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 1.7 mpp_? -125.33 155.53 40.12 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.093 0.473 . . . . 0.0 111.438 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -130.45 162.89 28.16 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.427 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.406 HD21 ' NZ ' ' A' ' 54' ' ' LYS . 2.7 mm? -114.2 119.51 37.3 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.254 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.416 ' HA ' HD11 ' A' ' 22' ' ' ILE . 61.4 m -120.18 175.85 5.74 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.331 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.438 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -87.66 -21.45 25.26 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.302 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -143.38 170.51 15.65 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.446 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -67.37 -23.02 65.55 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -88.77 -17.74 29.19 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.46 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.2 t 58.45 26.22 13.93 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 124.047 0.842 . . . . 0.0 109.767 -178.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.6 t -93.65 -4.07 51.32 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 114.496 -1.229 . . . . 0.0 110.726 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -98.13 147.52 33.2 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.469 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.495 ' HB2' HD12 ' A' ' 91' ' ' LEU . 44.2 Cg_endo -93.15 121.04 0.42 Allowed 'Trans proline' 0 C--N 1.365 1.412 0 C-N-CA 122.92 2.413 . . . . 0.0 112.098 179.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.416 HD11 ' HA ' ' A' ' 13' ' ' CYS . 49.9 mt -69.68 -66.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.511 -179.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.7 p -132.49 140.23 48.28 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.197 0.522 . . . . 0.0 112.369 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.5 ttp -91.96 114.0 26.43 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.656 178.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.96 141.85 49.29 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.4 t -93.97 133.68 34.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.315 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.01 128.96 38.13 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.96 0.409 . . . . 0.0 111.559 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.452 HD11 ' HB2' ' A' ' 86' ' ' ARG . 86.6 mt -90.97 -22.33 20.87 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.41 -0.813 . . . . 0.0 112.449 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -150.2 -174.82 4.84 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -91.6 154.26 19.17 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.082 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -151.19 134.0 15.74 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.634 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 93.6 mtp -109.65 130.04 55.54 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.576 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.84 119.14 67.27 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.88 -64.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.365 1.442 0 C-N-CA 122.65 2.233 . . . . 0.0 111.775 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -91.38 167.75 12.06 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.809 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.6 p -65.84 -15.15 62.65 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.541 HH22 ' HA ' ' A' ' 3' ' ' PRO . 65.5 mtt85 -75.75 -27.77 58.23 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.315 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -89.96 162.3 15.47 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.648 0.261 . . . . 0.0 110.969 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.648 HD21 HG23 ' A' ' 65' ' ' VAL . 66.2 tp -119.67 136.79 54.26 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.659 -178.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.4 m -88.77 123.27 33.02 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.7 mt -127.87 144.24 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.641 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -108.97 151.54 26.18 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.377 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -63.76 121.63 14.46 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.496 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.83 -11.44 52.94 Favored Glycine 0 C--N 1.338 0.664 0 C-N-CA 121.036 -0.602 . . . . 0.0 113.769 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -78.2 149.38 33.71 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 117.196 0.498 . . . . 0.0 111.806 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.3 t -86.5 123.41 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.464 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.495 HG22 HG22 ' A' ' 65' ' ' VAL . 8.8 t -121.04 121.8 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 111.33 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -91.2 124.19 35.22 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.971 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.7 t -88.35 131.49 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -112.04 -36.61 5.32 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.9 p -140.56 146.85 38.59 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -121.9 116.18 23.92 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.3 mt -72.6 142.96 48.38 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.406 ' NZ ' HD21 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -130.37 158.23 40.42 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.005 179.066 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.87 -102.13 1.35 Allowed Glycine 0 C--N 1.335 0.512 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.172 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -89.91 -17.04 28.73 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.677 0.275 . . . . 0.0 110.59 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.66 60.34 0.68 Allowed Glycine 0 C--N 1.337 0.619 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.993 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.2 tpt85 -68.78 -22.63 64.27 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 122.634 0.373 . . . . 0.0 111.349 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 73.4 mt -90.94 -1.06 57.87 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.413 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -101.13 125.88 47.79 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.103 0.477 . . . . 0.0 111.455 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -112.06 -173.41 2.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.402 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -164.99 154.05 24.61 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.767 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 170.47 -150.57 14.56 Favored Glycine 0 C--N 1.337 0.589 0 C-N-CA 121.315 -0.469 . . . . 0.0 112.437 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.5 t -142.69 146.79 34.75 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.577 0.227 . . . . 0.0 110.75 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.648 HG23 HD21 ' A' ' 39' ' ' LEU . 98.4 t -88.86 133.02 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.206 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 . . . . . 0 CA--C 1.538 0.491 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.018 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.348 0 CA-C-O 121.059 0.457 . . . . 0.0 111.624 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.41 -13.9 31.54 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.617 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.58 168.35 19.94 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.565 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.3 mt -115.47 129.21 56.48 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.217 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -113.86 -175.19 18.97 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.002 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.403 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 84.2 m-85 -129.94 144.86 51.54 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.773 0.32 . . . . 0.0 110.671 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -148.09 151.25 37.29 Favored Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.016 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.413 ' O ' HG12 ' A' ' 84' ' ' ILE . 11.2 Cg_exo -71.51 137.91 31.42 Favored 'Trans proline' 0 C--N 1.366 1.48 0 C-N-CA 122.194 1.929 . . . . 0.0 111.443 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 93.2 p -64.8 -19.19 65.7 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.721 0.296 . . . . 0.0 111.642 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.0 p -66.61 -19.62 65.81 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 81' ' ' PRO . 29.3 pt -95.82 -1.38 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -179.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.4 m -119.63 159.05 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.452 ' HB2' HD11 ' A' ' 28' ' ' LEU . 53.5 ttt85 -125.54 110.1 13.46 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.708 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -79.19 130.9 35.95 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.3 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -130.08 -31.81 1.87 Allowed 'General case' 0 C--O 1.234 0.25 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -141.79 139.55 32.8 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.925 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.2 m -100.05 125.04 46.07 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.495 HD12 ' HB2' ' A' ' 21' ' ' PRO . 23.0 mt -86.94 -24.83 24.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.599 -178.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.412 ' NZ ' ' HB2' ' A' ' 92' ' ' LYS . 1.1 ttmp? -170.97 131.01 0.81 Allowed Pre-proline 0 N--CA 1.471 0.579 0 O-C-N 123.614 0.571 . . . . 0.0 110.09 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -54.73 133.85 59.52 Favored 'Trans proline' 0 C--N 1.368 1.598 0 C-N-CA 123.088 2.525 . . . . 0.0 114.154 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.438 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -104.07 86.8 0.53 Allowed Glycine 0 C--N 1.337 0.599 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 178.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -123.87 27.9 7.07 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 37.2 t -117.31 139.32 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -112.29 120.76 42.83 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.848 0.356 . . . . 0.0 111.129 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.72 129.82 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.159 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.471 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 7.2 mtpm? -79.56 158.74 27.08 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.394 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 58.8 p -110.9 159.38 17.75 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.717 0.294 . . . . 0.0 111.159 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -122.49 -175.45 3.14 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.754 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -15.41 61.45 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -178.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -83.09 -2.64 55.92 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.562 0.22 . . . . 0.0 111.106 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.71 -26.14 15.28 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.407 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -124.57 60.77 1.16 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.185 0.517 . . . . 0.0 111.364 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.2 t80 . . . . . 0 N--CA 1.465 0.323 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.149 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.528 0 CA-C-O 119.62 -0.544 . . . . 0.0 112.412 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -78.74 130.97 9.97 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 122.399 2.066 . . . . 0.0 112.156 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.412 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 3.0 ppp? -138.69 166.42 25.36 Favored Pre-proline 0 CA--C 1.547 0.849 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.616 -178.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 4' ' ' MET . 3.5 Cg_endo -44.68 147.27 1.84 Allowed 'Trans proline' 0 C--N 1.383 2.361 0 C-N-CA 123.466 2.778 . . . . 0.0 113.769 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 7' ' ' LEU . 9.7 mtmp? -75.65 -24.73 56.41 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.871 -178.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 6' ' ' LYS . 3.7 mm? 78.44 -50.92 0.48 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.466 1.106 . . . . 0.0 110.605 -177.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.4 -166.22 2.48 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.62 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -121.23 -42.19 2.48 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.477 0.18 . . . . 0.0 111.424 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.443 ' HG2' ' HG3' ' A' ' 99' ' ' LYS . 99.3 mtt180 -126.54 161.83 27.08 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.082 0.468 . . . . 0.0 111.528 -179.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.518 ' HB3' HD23 ' A' ' 53' ' ' LEU . 46.8 pttt -129.63 174.13 9.97 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.477 -179.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.445 HD11 ' HD2' ' A' ' 54' ' ' LYS . 91.8 mt -119.47 114.43 22.28 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.88 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 60.2 m -121.84 171.71 8.7 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.591 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.469 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -80.18 -42.45 23.34 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -126.06 174.25 8.6 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -67.04 -19.79 65.74 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.336 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -88.63 -19.11 26.66 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.608 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.7 t 59.1 27.04 15.88 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 124.043 0.84 . . . . 0.0 109.684 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.6 t -102.73 41.41 1.25 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-N 114.528 -1.214 . . . . 0.0 109.756 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -142.64 143.17 25.13 Favored Pre-proline 0 CA--C 1.537 0.445 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.355 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.402 ' HB2' HD12 ' A' ' 91' ' ' LEU . 35.5 Cg_endo -90.02 116.68 0.64 Allowed 'Trans proline' 0 C--N 1.365 1.424 0 C-N-CA 122.618 2.212 . . . . 0.0 111.762 179.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.5 mt -65.61 -65.57 0.56 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.108 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.418 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.5 m -138.54 144.56 39.97 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.026 0.441 . . . . 0.0 112.153 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -90.75 113.84 26.04 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.87 146.95 39.27 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.7 t -94.72 139.66 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.979 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.24 134.22 33.85 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mp -110.74 -0.3 17.11 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -178.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -142.82 170.39 15.79 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -96.06 137.3 35.34 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 114.262 -1.336 . . . . 0.0 109.296 177.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -150.74 143.13 24.31 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.707 0.289 . . . . 0.0 111.244 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.419 ' HA ' HG23 ' A' ' 40' ' ' THR . 97.2 mmm -113.49 142.13 46.29 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.05 178.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.62 112.46 39.92 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.99 -58.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.364 1.351 0 C-N-CA 122.589 2.193 . . . . 0.0 112.285 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -91.45 169.0 11.13 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.454 0.645 . . . . 0.0 112.497 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 38.1 t -61.03 -24.78 66.43 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 114.508 -1.224 . . . . 0.0 114.083 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.434 ' HE ' ' HB3' ' A' ' 105' ' ' PHE . 0.1 OUTLIER -102.38 15.94 27.7 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -178.418 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -109.07 162.91 13.8 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.04 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.557 ' HG ' ' HA3' ' A' ' 78' ' ' GLY . 37.9 mt -113.1 148.33 35.5 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -178.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.419 HG23 ' HA ' ' A' ' 32' ' ' MET . 61.3 m -99.57 111.59 23.92 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 177.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 64.9 mt -110.56 152.55 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.904 -178.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -118.89 150.29 40.12 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.018 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -63.21 102.21 0.37 Allowed 'General case' 0 CA--C 1.535 0.373 0 O-C-N 123.412 0.445 . . . . 0.0 110.752 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.16 16.94 9.21 Favored Glycine 0 C--N 1.341 0.839 0 CA-C-N 115.908 -0.587 . . . . 0.0 113.203 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -91.96 143.93 25.98 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.96 0.38 . . . . 0.0 111.735 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.2 t -83.1 115.86 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.557 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.7 t -120.1 132.69 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.734 0.302 . . . . 0.0 111.366 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -101.36 124.34 46.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.318 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.9 t -86.7 130.11 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.542 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -111.99 -40.94 4.09 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.699 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.413 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 62.8 p -138.01 143.87 40.8 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -122.12 113.62 19.76 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.632 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.518 HD23 ' HB3' ' A' ' 11' ' ' LYS . 71.0 mt -73.03 148.29 44.27 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.445 ' HD2' HD11 ' A' ' 12' ' ' LEU . 56.8 mtpt -123.36 168.16 12.87 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.264 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.38 -117.08 4.98 Favored Glycine 0 C--N 1.337 0.589 0 CA-C-N 116.077 -0.511 . . . . 0.0 112.737 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 83.5 mtm-85 -71.35 -31.67 67.64 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.784 0.326 . . . . 0.0 110.777 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -110.72 50.77 0.74 Allowed Glycine 0 C--N 1.334 0.448 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.833 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -68.63 -18.29 64.27 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 pp -104.32 6.53 35.32 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.691 0.282 . . . . 0.0 111.049 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -104.57 118.12 35.81 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.145 0.498 . . . . 0.0 110.932 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 36.1 m0 -109.24 179.65 4.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.168 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -160.05 156.64 27.89 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.324 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 169.8 -147.25 10.69 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.319 -0.467 . . . . 0.0 112.366 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.8 p -136.63 128.49 29.19 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.609 0.242 . . . . 0.0 110.51 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 p -88.03 126.44 41.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.227 0.537 . . . . 0.0 111.769 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.293 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.27 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.11 -35.94 78.94 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.668 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -99.03 146.57 25.91 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.247 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 27.0 mt -106.4 128.03 53.73 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.654 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.557 ' HA3' ' HG ' ' A' ' 39' ' ' LEU . . . -119.58 -173.84 15.47 Favored Glycine 0 C--N 1.334 0.449 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.203 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -129.67 147.7 51.48 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.656 0.265 . . . . 0.0 111.04 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -146.86 156.5 47.78 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.529 -178.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -77.73 126.85 8.38 Favored 'Trans proline' 0 C--N 1.37 1.667 0 C-N-CA 122.6 2.2 . . . . 0.0 112.085 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.426 ' HA ' HG22 ' A' ' 85' ' ' VAL . 98.1 p -63.37 -18.66 63.91 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.159 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.1 m -62.78 -17.05 60.48 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.6 pt -107.33 -6.92 10.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.426 HG22 ' HA ' ' A' ' 82' ' ' SER . 22.9 m -105.8 161.28 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 120.644 -0.423 . . . . 0.0 111.766 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.6 ttt-85 -140.67 109.4 5.99 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.753 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -72.63 133.4 44.65 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.532 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -127.22 -34.28 2.32 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.059 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -141.15 124.35 16.47 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.9 m -88.76 126.23 35.24 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.2 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.402 HD12 ' HB2' ' A' ' 21' ' ' PRO . 13.8 mt -87.53 -42.6 12.64 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.849 -179.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -144.7 133.35 10.99 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.697 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -61.25 131.15 35.1 Favored 'Trans proline' 0 C--N 1.367 1.508 0 C-N-CA 122.644 2.229 . . . . 0.0 113.788 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.469 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -106.59 93.45 0.86 Allowed Glycine 0 C--N 1.335 0.515 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.309 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -137.36 36.12 2.5 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 81.2 t -128.06 113.67 31.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.147 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -81.19 122.68 27.69 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.4 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 23.1 t -125.98 138.4 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.912 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.443 ' HG3' ' HG2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -79.86 153.97 28.7 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.587 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 46.0 p -98.97 135.42 40.4 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.807 0.337 . . . . 0.0 111.032 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -86.7 -174.62 5.06 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.482 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -1.58 56.67 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -102.76 21.46 15.45 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.85 0.357 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -109.18 -15.21 14.35 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.644 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.434 ' HB3' ' HE ' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -151.43 47.94 0.82 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.017 0.437 . . . . 0.0 111.813 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 31.6 t80 . . . . . 0 N--CA 1.467 0.411 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.309 179.445 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.47 0 CA-C-O 119.563 -0.576 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -81.23 111.22 2.37 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 122.498 2.132 . . . . 0.0 112.186 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -116.54 155.24 48.93 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.847 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -55.68 146.57 64.77 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 122.809 2.34 . . . . 0.0 112.962 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -61.33 136.58 58.09 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.129 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.84 -38.52 28.1 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.21 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -156.1 179.56 9.11 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.532 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -101.79 -61.23 1.41 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.029 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -118.78 150.67 39.4 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.024 0.44 . . . . 0.0 111.248 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.437 ' HB3' HD23 ' A' ' 53' ' ' LEU . 52.4 pttt -124.68 172.45 9.26 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.608 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.2 mt -116.81 113.64 22.82 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.466 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 63.2 m -117.43 176.94 4.93 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.54 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.454 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -81.56 -28.61 33.78 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -152.0 177.97 9.92 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.224 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -63.48 -20.93 66.01 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.313 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.1 mp0 -88.53 -21.54 24.06 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.887 -0.142 . . . . 0.0 111.07 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.9 t 54.77 31.73 16.08 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.771 0.796 . . . . 0.0 109.939 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.3 t -97.71 -5.13 35.82 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 114.722 -1.126 . . . . 0.0 111.205 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -102.12 149.94 37.04 Favored Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.669 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -93.2 128.97 0.72 Allowed 'Trans proline' 0 C--N 1.366 1.475 0 C-N-CA 122.861 2.374 . . . . 0.0 112.223 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.6 mt -71.85 -61.76 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.18 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.7 m -139.66 147.29 40.79 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 24.5 ttp -89.73 111.59 22.62 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.944 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.42 145.16 39.44 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.854 0.359 . . . . 0.0 111.884 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.8 t -99.5 139.09 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.363 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.71 133.48 34.01 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.184 0.303 . . . . 0.0 111.442 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.38 -14.81 19.01 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.509 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -151.68 -175.76 5.34 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.87 154.7 17.47 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.189 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -151.14 149.39 29.42 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.07 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.532 ' HA ' HG23 ' A' ' 40' ' ' THR . 67.3 mtm -125.1 140.1 53.19 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.831 0.348 . . . . 0.0 111.079 179.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.434 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . . . -94.5 116.15 66.07 Favored Pre-proline 0 C--O 1.236 0.343 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.543 -178.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 10.2 Cg_exo -72.31 -64.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.363 1.321 0 C-N-CA 122.342 2.028 . . . . 0.0 110.88 178.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -92.55 170.42 9.76 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.443 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.9 t -66.33 -12.53 57.17 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.79 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -83.27 -19.17 36.82 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -98.2 172.85 7.32 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.778 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.4 tp -126.17 138.96 53.7 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.743 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.532 HG23 ' HA ' ' A' ' 32' ' ' MET . 24.4 m -92.41 125.16 36.94 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.7 mt -125.25 151.64 31.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.543 -178.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -118.92 153.48 34.51 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -62.45 116.02 4.73 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.742 0.306 . . . . 0.0 111.491 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.34 2.24 44.36 Favored Glycine 0 C--N 1.339 0.703 0 C-N-CA 121.052 -0.594 . . . . 0.0 114.165 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -82.67 147.32 28.59 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 117.701 0.75 . . . . 0.0 111.677 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.1 t -85.91 105.06 14.14 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-N 115.326 -0.852 . . . . 0.0 108.787 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.447 HG22 HG12 ' A' ' 65' ' ' VAL . 11.5 t -105.41 117.68 51.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 120.968 0.413 . . . . 0.0 111.891 -178.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -85.53 121.91 28.9 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.873 178.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.8 t -87.44 114.76 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 O-C-N 123.371 0.419 . . . . 0.0 110.283 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -94.38 -38.39 10.99 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.104 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.4 p -141.68 148.5 39.2 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -178.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -120.76 115.76 23.92 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.348 -0.842 . . . . 0.0 108.772 178.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.437 HD23 ' HB3' ' A' ' 11' ' ' LYS . 53.5 mt -70.93 152.67 43.4 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -178.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -126.72 -40.43 1.91 Allowed 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.885 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.58 103.85 0.55 Allowed Glycine 0 C--N 1.341 0.845 0 O-C-N 123.496 0.498 . . . . 0.0 113.039 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 42.54 27.86 0.1 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.723 1.209 . . . . 0.0 113.349 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -160.79 52.5 0.34 Allowed Glycine 0 C--N 1.337 0.626 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.052 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -72.4 -13.76 61.54 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 111.567 0.21 . . . . 0.0 111.567 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 73.7 mt -90.86 1.28 57.1 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.499 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -112.84 124.76 53.33 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.332 0.587 . . . . 0.0 111.43 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -110.54 -174.23 2.43 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.03 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -160.24 151.02 21.53 Favored Glycine 0 C--N 1.334 0.431 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.915 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 175.02 -152.34 13.54 Favored Glycine 0 C--O 1.24 0.518 0 C-N-CA 121.389 -0.434 . . . . 0.0 112.699 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.4 t -138.69 168.8 19.0 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 123.731 0.312 . . . . 0.0 110.608 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.447 HG12 HG22 ' A' ' 47' ' ' VAL . 1.3 m -105.39 121.41 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 C--O 1.236 0.347 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.722 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.288 0 CA-C-O 120.581 0.229 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.1 -37.15 69.6 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.982 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -78.78 98.91 6.47 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.657 0.741 . . . . 0.0 110.846 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.2 tp -91.3 132.18 36.32 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.922 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -142.66 -177.98 18.18 Favored Glycine 0 C--N 1.34 0.784 0 C-N-CA 120.276 -0.964 . . . . 0.0 113.627 -179.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -111.15 156.46 21.35 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.724 0.297 . . . . 0.0 111.347 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -154.13 156.87 32.27 Favored Pre-proline 0 CA--C 1.544 0.716 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.811 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.477 ' O ' HG12 ' A' ' 84' ' ' ILE . 8.6 Cg_exo -72.18 136.01 26.04 Favored 'Trans proline' 0 C--N 1.369 1.643 0 C-N-CA 122.239 1.96 . . . . 0.0 111.704 179.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 98.2 p -64.86 -23.93 67.38 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.585 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.6 m -66.55 -17.68 64.95 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -179.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.504 HG13 HG13 ' A' ' 85' ' ' VAL . 21.1 pt -94.18 -6.83 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 120.407 -0.517 . . . . 0.0 112.308 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.504 HG13 HG13 ' A' ' 84' ' ' ILE . 34.5 m -122.38 166.97 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.879 0.371 . . . . 0.0 111.779 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -140.56 116.81 10.62 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.55 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -77.53 128.58 34.4 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.42 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -123.35 -36.25 2.84 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.735 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.617 HE22 HD23 ' A' ' 91' ' ' LEU . 1.4 tm0? -137.64 136.92 37.92 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -178.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.3 m -98.69 124.98 43.85 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.617 HD23 HE22 ' A' ' 89' ' ' GLN . 10.6 mt -86.19 -40.57 15.47 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.844 -178.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt -154.4 134.11 7.73 Favored Pre-proline 0 CA--C 1.544 0.717 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.805 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -50.5 132.96 36.73 Favored 'Trans proline' 0 C--N 1.373 1.842 0 C-N-CA 123.118 2.545 . . . . 0.0 114.517 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.454 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -111.99 82.37 0.3 Allowed Glycine 0 C--N 1.334 0.462 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 178.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.42 36.71 4.35 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -178.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.0 t -126.12 115.31 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.135 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -86.17 119.92 26.97 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.268 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 26.3 t -128.86 132.74 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.117 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.29 160.75 22.84 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.793 -0.185 . . . . 0.0 110.659 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 79.6 p -103.6 139.58 38.7 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.77 0.319 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -90.32 -175.13 4.4 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.856 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -18.41 49.5 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.798 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -80.1 -4.27 52.16 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -84.65 -37.9 20.48 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.644 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -93.22 -15.13 26.24 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.525 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 11.0 t80 . . . . . 0 CA--C 1.533 0.312 0 CA-C-O 120.961 0.41 . . . . 0.0 110.715 -179.224 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.62 0 CA-C-O 119.584 -0.564 . . . . 0.0 112.612 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -78.56 121.84 5.3 Favored 'Trans proline' 0 C--N 1.362 1.247 0 C-N-CA 122.4 2.066 . . . . 0.0 112.188 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 21.0 ptm -139.72 157.65 69.5 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.706 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.68 144.02 66.66 Favored 'Trans proline' 0 C--N 1.373 1.866 0 C-N-CA 122.646 2.231 . . . . 0.0 112.675 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -70.72 139.06 51.05 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.341 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.423 HD22 HH12 ' A' ' 37' ' ' ARG . 28.9 tp -74.26 -44.1 54.27 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.979 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.442 ' HB3' HD22 ' A' ' 53' ' ' LEU . . . -144.53 174.56 10.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.525 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.435 ' HB3' ' HD2' ' A' ' 10' ' ' ARG . 23.4 t70 -109.6 -45.92 3.6 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.391 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.435 ' HD2' ' HB3' ' A' ' 9' ' ' ASP . 2.4 mpt_? -123.2 155.55 36.88 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 121.525 0.679 . . . . 0.0 111.708 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.544 ' HB3' HD23 ' A' ' 53' ' ' LEU . 44.3 pttt -131.86 169.34 16.39 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 114.52 -1.218 . . . . 0.0 109.931 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 mp -126.83 116.15 20.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.754 0.311 . . . . 0.0 110.922 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.58 ' HA ' HD11 ' A' ' 22' ' ' ILE . 37.5 m -114.56 179.09 4.05 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.388 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.442 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -80.76 -41.08 24.05 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.531 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -124.81 171.06 10.44 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.155 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -70.66 -16.34 62.8 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 120.938 0.399 . . . . 0.0 110.437 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -88.27 -19.09 27.25 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.258 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.1 t 56.06 31.57 18.36 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 124.068 0.855 . . . . 0.0 109.818 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.0 t -96.93 -7.68 32.61 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 114.593 -1.185 . . . . 0.0 111.125 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -98.01 146.46 31.53 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.739 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.432 ' HB2' HD12 ' A' ' 91' ' ' LEU . 36.2 Cg_endo -90.21 119.93 0.8 Allowed 'Trans proline' 0 C--N 1.366 1.481 0 C-N-CA 122.846 2.364 . . . . 0.0 111.859 178.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.58 HD11 ' HA ' ' A' ' 13' ' ' CYS . 50.4 mt -68.75 -66.07 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.817 -179.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.4 p -135.49 138.32 43.01 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -89.81 111.07 21.97 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.122 -0.945 . . . . 0.0 108.628 178.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.36 145.13 42.2 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.271 -0.422 . . . . 0.0 112.045 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.9 t -95.56 141.96 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.627 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.85 131.42 34.52 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.844 0.354 . . . . 0.0 111.297 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -92.16 -6.48 50.63 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.412 ' HA ' ' HB2' ' A' ' 43' ' ' ARG . 2.7 pt20 -166.29 -175.8 3.41 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -89.01 148.65 23.64 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.665 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -151.7 135.87 16.67 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.108 179.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.547 ' HA ' HG23 ' A' ' 40' ' ' THR . 15.5 tpt -112.46 139.44 48.03 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.97 107.56 23.72 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -77.22 -44.0 0.21 Allowed 'Trans proline' 0 C--N 1.363 1.338 0 C-N-CA 122.489 2.126 . . . . 0.0 112.404 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.19 158.05 16.84 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.596 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.5 p -59.27 -38.72 80.82 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.423 HH12 HD22 ' A' ' 7' ' ' LEU . 7.8 ppt_? -91.73 16.15 11.32 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -178.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -99.71 168.26 10.03 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 177.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.53 HD21 HG23 ' A' ' 65' ' ' VAL . 43.5 tp -124.27 133.66 53.43 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.547 HG23 ' HA ' ' A' ' 32' ' ' MET . 27.8 m -89.99 118.65 29.71 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.502 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.5 mt -122.25 152.98 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -118.72 156.77 28.73 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.934 0.397 . . . . 0.0 111.047 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.412 ' HB2' ' HA ' ' A' ' 29' ' ' GLN . 20.8 tpt180 -63.59 119.63 10.2 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.449 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.55 1.55 62.09 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 115.765 -0.652 . . . . 0.0 114.203 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -85.75 157.3 20.3 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 117.578 0.689 . . . . 0.0 111.94 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 13.9 t -93.32 126.32 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.671 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.462 HG22 HG22 ' A' ' 65' ' ' VAL . 18.1 t -125.25 123.64 65.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 120.836 0.35 . . . . 0.0 111.362 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -92.64 120.85 33.48 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.887 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.1 t -87.12 124.44 40.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.121 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -103.52 -31.15 10.09 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.813 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.455 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 73.2 p -144.45 149.72 36.48 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -124.9 114.43 19.17 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.333 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.544 HD23 ' HB3' ' A' ' 11' ' ' LYS . 27.5 mt -72.98 150.33 42.56 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.898 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -131.83 -42.25 1.02 Allowed 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.47 100.82 0.33 Allowed Glycine 0 C--N 1.336 0.572 0 O-C-N 123.428 0.455 . . . . 0.0 113.025 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 75.5 mtt85 58.84 19.09 6.65 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.579 0.751 . . . . 0.0 112.435 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.31 49.94 0.35 Allowed Glycine 0 C--N 1.336 0.565 0 C-N-CA 121.496 -0.383 . . . . 0.0 112.193 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.418 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 38.2 ptt180 -68.8 -20.86 64.34 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 64.0 mt -92.6 12.32 23.52 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.843 0.354 . . . . 0.0 110.658 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -121.83 125.73 47.15 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.063 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 47.5 m0 -113.98 -175.96 2.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.622 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -159.97 150.51 20.78 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.623 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 175.16 -150.1 10.8 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 121.435 -0.412 . . . . 0.0 112.431 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.8 t -140.59 145.85 37.24 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.586 0.231 . . . . 0.0 110.794 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.53 HG23 HD21 ' A' ' 39' ' ' LEU . 97.0 t -85.05 127.22 40.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.067 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 . . . . . 0 CA--C 1.533 0.296 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.663 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.327 0 CA-C-O 121.241 0.543 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.86 -14.13 23.44 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.486 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.46 163.6 32.4 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.4 mt -119.15 128.15 54.0 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.936 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -124.04 171.14 16.3 Favored Glycine 0 C--N 1.335 0.485 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.098 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -106.53 155.23 19.82 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.915 0.388 . . . . 0.0 111.264 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -153.44 154.59 30.76 Favored Pre-proline 0 CA--C 1.541 0.631 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.642 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.444 ' O ' HG12 ' A' ' 84' ' ' ILE . 7.6 Cg_exo -73.16 135.0 22.08 Favored 'Trans proline' 0 C--N 1.369 1.606 0 C-N-CA 122.145 1.897 . . . . 0.0 111.75 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 98.7 p -64.95 -22.78 67.06 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.418 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.7 t -66.23 -21.09 66.29 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 81' ' ' PRO . 20.2 pt -92.63 -6.26 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 120.461 -0.496 . . . . 0.0 112.337 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.403 HG13 HG13 ' A' ' 84' ' ' ILE . 22.7 m -119.7 167.85 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-O 120.979 0.418 . . . . 0.0 112.027 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -140.74 116.95 10.61 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.347 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -71.51 131.46 43.32 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.406 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -121.01 -39.08 2.74 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.681 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -144.79 143.31 30.59 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 57.8 m -103.04 121.61 42.93 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.432 HD12 ' HB2' ' A' ' 21' ' ' PRO . 12.0 mt -86.42 -32.51 20.85 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.286 -178.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 tpmt? -153.42 131.6 6.43 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.127 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -59.55 124.62 15.86 Favored 'Trans proline' 0 C--N 1.368 1.554 0 C-N-CA 122.932 2.422 . . . . 0.0 113.867 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -98.58 91.65 1.14 Allowed Glycine 0 C--N 1.335 0.498 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 178.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -129.24 25.29 5.5 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.7 t -118.15 121.76 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -93.01 105.22 17.35 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.128 0.49 . . . . 0.0 111.605 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.534 HG12 ' H ' ' A' ' 99' ' ' LYS . 1.7 t -105.48 178.82 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.534 ' H ' HG12 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -132.94 165.97 23.45 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 118.107 0.412 . . . . 0.0 110.773 -179.863 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.5 p -93.75 169.6 10.19 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.615 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -123.86 -174.97 3.11 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.174 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -68.86 -37.77 79.31 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.83 0.452 . . . . 0.0 112.214 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 55.3 m95 -88.71 48.01 1.58 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.089 0.471 . . . . 0.0 111.963 -178.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -127.0 -19.2 4.46 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.918 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -123.51 -16.19 6.87 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 16.2 t80 . . . . . 0 CA--C 1.534 0.357 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.307 -179.575 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.547 0 CA-C-O 119.368 -0.685 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -66.14 149.62 85.54 Favored 'Trans proline' 0 C--N 1.364 1.344 0 C-N-CA 122.459 2.106 . . . . 0.0 112.182 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.548 ' HE1' ' HG2' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -156.12 166.01 17.34 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.502 -178.678 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -50.87 158.74 2.83 Favored 'Trans proline' 0 C--N 1.38 2.214 0 C-N-CA 122.403 2.068 . . . . 0.0 112.696 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -29.55 70.62 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.9 tp 75.44 -34.39 0.25 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.975 0.91 . . . . 0.0 111.829 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -156.85 -166.71 2.17 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 122.938 0.495 . . . . 0.0 110.193 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -129.68 -53.52 1.15 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.53 0.205 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.493 ' HG2' ' HG2' ' A' ' 99' ' ' LYS . 40.0 mtp85 -124.46 163.39 21.93 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.142 -179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.469 ' HD3' HG22 ' A' ' 100' ' ' THR . 34.2 pttt -132.92 167.31 20.47 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.197 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -111.39 119.29 38.33 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.321 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.568 ' HA ' HD11 ' A' ' 22' ' ' ILE . 79.6 m -121.92 171.42 8.93 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.838 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.541 ' HB1' ' HG2' ' A' ' 92' ' ' LYS . . . -87.44 -33.16 19.15 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.15 178.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.06 171.16 14.36 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.393 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -68.24 -18.15 64.49 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.145 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.5 mp0 -89.32 -15.92 32.29 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.728 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 90.4 m 57.06 28.08 14.34 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.459 0.647 . . . . 0.0 110.178 -178.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.4 t -96.75 -8.09 32.18 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.355 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -98.82 148.7 34.92 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.748 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.472 ' HB2' HD12 ' A' ' 91' ' ' LEU . 38.4 Cg_endo -91.65 118.76 0.52 Allowed 'Trans proline' 0 C--N 1.367 1.534 0 C-N-CA 122.92 2.414 . . . . 0.0 111.588 178.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.568 HD11 ' HA ' ' A' ' 13' ' ' CYS . 5.3 mp -67.7 -64.88 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.136 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.292 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 p -133.03 144.11 49.84 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.6 ttp -98.58 122.93 42.4 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 114.788 -1.096 . . . . 0.0 109.167 179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.482 ' HB2' ' CD ' ' A' ' 87' ' ' GLU . . . -120.44 158.72 26.61 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.5 t -109.26 135.47 48.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.719 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.0 139.17 38.26 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.907 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' A' ' 86' ' ' ARG . 3.7 mm? -100.35 -22.36 15.1 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.316 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -150.2 178.81 8.64 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -83.25 153.28 24.77 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.304 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -151.37 108.75 3.6 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.433 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -92.72 119.5 32.16 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.446 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . . . -73.4 116.86 55.39 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.055 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 2.8 Cg_exo -76.44 -61.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.363 1.293 0 C-N-CA 122.419 2.079 . . . . 0.0 111.846 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -91.44 165.1 13.56 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.245 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 29.5 t -57.82 -36.15 71.84 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 114.888 -1.051 . . . . 0.0 113.353 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.548 ' HG2' ' HE1' ' A' ' 4' ' ' MET . 0.2 OUTLIER -67.87 -18.45 64.81 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -178.042 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -94.2 163.85 13.28 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 117.888 0.313 . . . . 0.0 111.472 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.6 142.51 50.04 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.793 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 35.8 m -89.94 126.2 35.65 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.995 0.426 . . . . 0.0 110.802 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.0 mt -125.36 143.32 39.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.614 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -104.27 161.91 13.65 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.108 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -66.17 115.95 6.72 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.794 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.55 9.85 59.74 Favored Glycine 0 C--N 1.337 0.588 0 C-N-CA 121.034 -0.603 . . . . 0.0 113.575 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -82.29 143.21 31.47 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 117.153 0.476 . . . . 0.0 111.44 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 t -82.88 123.38 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.445 HG22 HG23 ' A' ' 65' ' ' VAL . 9.2 t -123.95 123.03 65.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 120.772 0.32 . . . . 0.0 111.429 -179.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -91.22 125.57 36.03 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.983 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.4 t -90.57 123.69 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.529 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -105.82 -20.5 13.42 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.879 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.426 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 72.6 p -158.08 138.93 13.06 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -116.3 111.11 19.64 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.627 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.438 HD23 ' HB3' ' A' ' 11' ' ' LYS . 36.7 mt -73.35 145.35 46.01 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 58' ' ' ARG . 55.9 mtmt -133.27 174.51 10.31 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.517 179.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.18 -104.39 3.17 Favored Glycine 0 C--N 1.337 0.589 0 C-N-CA 121.201 -0.523 . . . . 0.0 113.013 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.3 mmm-85 -75.55 -19.74 59.12 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 122.291 0.237 . . . . 0.0 111.234 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -145.54 68.84 0.4 Allowed Glycine 0 C--N 1.334 0.426 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.033 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.478 ' HA ' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -73.01 -5.49 39.16 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.798 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.0 mp -100.62 -6.74 24.8 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.604 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -97.15 128.44 44.06 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.382 0.61 . . . . 0.0 111.782 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 34.3 m0 -115.36 -179.27 3.59 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.162 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.26 156.59 28.05 Favored Glycine 0 C--N 1.333 0.414 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.693 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.62 -145.15 10.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.481 -0.39 . . . . 0.0 112.382 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.4 t -132.37 152.35 51.48 Favored 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.445 HG23 HG22 ' A' ' 47' ' ' VAL . 7.2 p -105.19 128.32 59.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 121.333 0.587 . . . . 0.0 111.616 -179.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 . . . . . 0 CA--C 1.531 0.227 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.225 179.772 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.246 0 CA-C-O 120.449 0.166 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.46 -38.3 71.3 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.687 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -89.43 151.38 22.05 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.385 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.0 mt -116.01 134.39 55.01 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.422 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -122.71 178.54 16.35 Favored Glycine 0 C--N 1.334 0.431 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.993 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.433 ' HD2' ' HD3' ' A' ' 37' ' ' ARG . 31.9 m-85 -119.18 147.57 44.06 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.778 0.323 . . . . 0.0 110.949 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -147.13 152.64 43.71 Favored Pre-proline 0 CA--C 1.54 0.579 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.975 -178.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -77.19 137.24 16.88 Favored 'Trans proline' 0 C--N 1.366 1.469 0 C-N-CA 122.457 2.105 . . . . 0.0 112.002 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 95.8 p -65.12 -19.69 66.11 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.535 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.3 t -66.24 -22.31 66.32 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.2 pt -95.52 -0.83 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.2 m -121.93 155.81 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.468 ' HB2' HD21 ' A' ' 28' ' ' LEU . 25.1 ttt85 -126.53 117.94 23.88 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.793 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.482 ' CD ' ' HB2' ' A' ' 25' ' ' ALA . 55.6 mm-40 -88.29 129.02 35.49 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.227 -179.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -138.35 -23.77 0.98 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.57 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -123.68 140.44 52.99 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.747 -178.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.0 m -122.17 114.53 20.99 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.472 HD12 ' HB2' ' A' ' 21' ' ' PRO . 10.9 mt -86.51 -13.82 44.87 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -176.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.541 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 1.9 tpmt? -172.55 135.01 0.77 Allowed Pre-proline 0 N--CA 1.477 0.877 0 O-C-N 123.346 0.404 . . . . 0.0 110.792 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.418 ' HD2' ' HG3' ' A' ' 92' ' ' LYS . 72.0 Cg_exo -56.83 127.88 27.65 Favored 'Trans proline' 0 C--N 1.368 1.586 0 C-N-CA 123.105 2.536 . . . . 0.0 113.441 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -101.72 77.79 0.37 Allowed Glycine 0 C--N 1.333 0.415 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.93 27.27 7.77 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -178.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.6 t -126.35 102.79 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -84.36 128.53 34.63 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.647 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 25.5 t -127.75 145.98 34.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.256 179.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.493 ' HG2' ' HG2' ' A' ' 10' ' ' ARG . 55.6 mtpt -80.63 161.11 24.84 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.47 0.176 . . . . 0.0 110.999 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.469 HG22 ' HD3' ' A' ' 11' ' ' LYS . 44.0 p -101.39 141.83 33.68 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -95.9 -179.6 4.76 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.334 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -18.61 58.59 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -81.46 -4.05 54.77 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -81.46 -26.54 35.2 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.18 58.03 1.64 Allowed 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.213 0.53 . . . . 0.0 111.935 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 21.2 t80 . . . . . 0 CA--C 1.535 0.403 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.215 179.089 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.386 0 CA-C-O 119.703 -0.498 . . . . 0.0 112.409 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -90.21 60.52 1.72 Allowed 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 123.109 2.539 . . . . 0.0 112.961 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.612 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -81.94 172.9 8.55 Favored Pre-proline 0 CA--C 1.562 1.431 0 CA-C-O 118.803 -0.618 . . . . 0.0 109.545 179.349 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.612 ' HD2' ' HB2' ' A' ' 4' ' ' MET . 17.7 Cg_endo -59.74 157.29 33.44 Favored 'Trans proline' 0 C--N 1.377 2.034 0 C-N-CA 122.889 2.393 . . . . 0.0 115.181 -177.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -90.31 -179.88 5.73 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.842 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.5 HD21 ' NH1' ' A' ' 37' ' ' ARG . 2.7 mm? -109.73 -45.74 3.61 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.007 179.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -135.92 -171.44 2.86 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.2 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 42.1 p-10 -124.36 -26.19 3.97 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.489 ' HE ' ' HE2' ' A' ' 99' ' ' LYS . 74.5 mtt85 -135.71 156.89 48.12 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.962 0.411 . . . . 0.0 111.191 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.449 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 38.0 pttt -137.41 177.39 7.9 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.61 -178.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' A' ' 51' ' ' SER . 3.9 mm? -118.7 113.25 20.88 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.36 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 85.1 m -117.17 176.23 5.23 Favored 'General case' 0 C--O 1.232 0.18 0 O-C-N 123.614 0.571 . . . . 0.0 110.265 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.442 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -83.43 -23.15 32.42 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.286 178.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -150.31 172.24 15.69 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.333 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -66.12 -17.87 64.99 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -91.8 -15.46 28.23 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.9 m 56.63 28.68 14.41 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.461 0.648 . . . . 0.0 110.127 -178.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.2 t -94.77 -7.96 38.92 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.411 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -100.76 148.05 34.49 Favored Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.443 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -93.5 130.19 0.74 Allowed 'Trans proline' 0 C--N 1.365 1.401 0 C-N-CA 122.852 2.368 . . . . 0.0 112.351 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.3 mt -74.49 -62.56 1.27 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.163 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.144 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.9 t -139.97 146.03 38.62 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.053 0.454 . . . . 0.0 111.957 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -93.64 126.12 38.64 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -127.34 150.68 49.49 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -178.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.8 t -102.52 135.28 40.44 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.153 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.99 130.31 37.31 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 86' ' ' ARG . 2.9 mm? -90.44 -27.26 19.39 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -147.87 176.96 9.72 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -79.01 150.97 31.79 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.341 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -151.43 136.05 17.08 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.415 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.0 mmm -115.39 137.13 52.37 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.235 0.334 . . . . 0.0 110.68 179.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.439 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . . . -94.51 118.54 66.93 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.342 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 4.7 Cg_exo -75.15 -67.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.363 1.325 0 C-N-CA 122.494 2.13 . . . . 0.0 111.489 179.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.0 170.5 9.61 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.66 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.9 t -64.73 -9.94 23.81 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -178.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.5 ' NH1' HD21 ' A' ' 7' ' ' LEU . 28.4 mtm105 -80.05 -25.91 39.94 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -95.93 164.49 12.7 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.937 0.399 . . . . 0.0 111.931 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.1 tp -120.34 138.72 53.57 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.741 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 41.3 m -88.29 121.82 31.12 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.9 mt -127.04 127.12 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.986 -178.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.438 ' H ' ' CD ' ' A' ' 45' ' ' GLN . 79.7 m-70 -88.96 159.26 17.73 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 177.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -63.14 117.14 6.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.694 -178.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.37 3.41 53.64 Favored Glycine 0 C--N 1.342 0.878 0 C-N-CA 120.965 -0.636 . . . . 0.0 114.312 179.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.474 ' NE2' HG21 ' A' ' 65' ' ' VAL . 25.8 mt-30 -76.34 145.28 39.61 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 117.842 0.821 . . . . 0.0 111.783 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.8 t -88.23 103.08 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.8 t -110.28 126.94 67.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.852 0.358 . . . . 0.0 111.546 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -96.39 127.89 42.81 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.401 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.7 t -87.42 136.56 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.247 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -118.15 -31.17 5.1 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 112.126 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.449 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 37.4 p -148.32 147.68 29.57 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.323 0.861 . . . . 0.0 113.323 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -121.95 121.47 37.16 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.24 -0.891 . . . . 0.0 108.844 178.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.7 mt -66.18 150.29 48.99 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -89.01 -97.26 0.09 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.768 -179.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.57 154.5 45.69 Favored Glycine 0 C--N 1.344 0.985 0 C-N-CA 121.232 -0.508 . . . . 0.0 112.689 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? 74.9 -58.26 0.58 Allowed 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.565 1.146 . . . . 0.0 111.714 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.0 -55.55 7.9 Favored Glycine 0 C--N 1.338 0.643 0 CA-C-O 119.755 -0.47 . . . . 0.0 112.607 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 58.57 -77.37 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.277 1.031 . . . . 0.0 112.257 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.1 pp -86.57 -0.26 55.78 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.286 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -88.34 115.31 25.76 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.168 0.509 . . . . 0.0 110.631 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 42.2 m0 -107.79 -171.32 1.85 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.126 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -169.55 165.09 38.55 Favored Glycine 0 C--N 1.336 0.529 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.776 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 164.65 -144.89 9.75 Favored Glycine 0 C--N 1.337 0.617 0 N-CA-C 112.136 -0.386 . . . . 0.0 112.136 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 94.1 p -134.9 155.18 51.15 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.474 HG21 ' NE2' ' A' ' 45' ' ' GLN . 6.9 p -107.47 132.9 53.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-O 121.339 0.59 . . . . 0.0 111.977 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 CA--C 1.531 0.243 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.136 179.52 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.264 0 N-CA-C 111.412 0.152 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.32 -35.55 76.07 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.684 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -95.07 151.92 18.78 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.459 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 69.6 mt -115.35 125.1 52.8 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.214 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -112.01 -173.8 19.44 Favored Glycine 0 C--N 1.333 0.399 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.747 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -129.54 148.22 51.42 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.807 0.337 . . . . 0.0 110.72 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -151.05 154.86 34.64 Favored Pre-proline 0 CA--C 1.541 0.596 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.041 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -74.33 137.05 22.8 Favored 'Trans proline' 0 C--N 1.368 1.56 0 C-N-CA 122.315 2.01 . . . . 0.0 111.554 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.1 p -63.92 -20.85 66.16 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.414 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.2 p -65.9 -25.11 67.01 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.0 pt -92.69 -1.34 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.0 m -123.86 145.63 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 121.024 0.44 . . . . 0.0 112.051 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.67 ' HB2' HD21 ' A' ' 28' ' ' LEU . 78.7 ttt180 -117.18 108.16 15.33 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.964 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -80.92 103.23 10.61 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.456 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -94.22 -28.39 15.65 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.307 -178.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.635 HE22 HD23 ' A' ' 91' ' ' LEU . 1.1 tm0? -144.8 129.8 18.42 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.5 m -90.77 124.62 35.27 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.635 HD23 HE22 ' A' ' 89' ' ' GLN . 8.6 mt -85.68 -38.94 17.78 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.875 -177.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -155.43 135.07 8.04 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -53.48 132.82 50.62 Favored 'Trans proline' 0 C--N 1.371 1.72 0 C-N-CA 123.38 2.72 . . . . 0.0 114.508 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -112.78 76.72 0.23 Allowed Glycine 0 C--N 1.335 0.496 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 178.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -122.41 31.26 6.19 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.9 t -119.94 117.34 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.473 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -79.87 119.02 22.17 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.965 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.6 t -121.45 129.41 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.489 ' HE2' ' HE ' ' A' ' 10' ' ' ARG . 94.1 mttt -79.17 159.95 27.18 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.187 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 62.5 p -98.57 156.18 16.92 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.627 0.251 . . . . 0.0 110.795 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -111.52 -172.31 2.01 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.016 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.26 -42.35 65.71 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.466 -179.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -86.75 47.58 1.51 Allowed 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.702 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.28 -31.45 3.05 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -114.32 -0.32 13.88 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.272 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 21.5 t80 . . . . . 0 C--O 1.234 0.289 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.271 179.77 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.778 0.323 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 121.56 169.81 13.74 Favored Glycine 0 C--N 1.336 0.549 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.397 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -85.64 122.14 2.3 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.746 2.298 . . . . 0.0 113.132 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.403 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 34.7 mtm -118.28 160.06 40.95 Favored Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.645 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 4' ' ' MET . 27.8 Cg_endo -61.59 125.3 16.43 Favored 'Trans proline' 0 C--N 1.37 1.684 0 C-N-CA 121.765 1.644 . . . . 0.0 111.35 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -51.67 136.48 27.0 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.182 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.34 -31.38 69.79 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.588 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -152.05 -175.79 5.39 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.185 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -114.26 -45.81 3.02 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.391 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -125.99 156.57 39.63 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.124 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.629 ' HB3' HD23 ' A' ' 53' ' ' LEU . 39.3 pttt -134.64 177.76 7.53 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.49 -179.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.5 mt -121.03 138.72 54.04 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.207 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.416 ' HA ' HD11 ' A' ' 22' ' ' ILE . 78.3 m -140.46 172.83 12.17 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.491 0.495 . . . . 0.0 110.7 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.558 ' HB1' ' HE2' ' A' ' 92' ' ' LYS . . . -79.04 -31.9 44.75 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.885 0.374 . . . . 0.0 110.153 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -137.12 169.89 17.02 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.903 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -69.33 -12.64 61.84 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.393 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -90.09 -19.25 24.55 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.539 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.7 m 57.78 28.72 16.34 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 121.481 0.658 . . . . 0.0 110.23 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.6 t -94.65 -8.23 38.55 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.258 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -102.31 151.4 38.13 Favored Pre-proline 0 CA--C 1.536 0.427 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.175 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -91.33 120.43 0.63 Allowed 'Trans proline' 0 C--N 1.368 1.554 0 C-N-CA 122.876 2.384 . . . . 0.0 111.928 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.416 HD11 ' HA ' ' A' ' 13' ' ' CYS . 59.8 mt -63.93 -62.12 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.026 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.0 m -141.51 145.26 34.95 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.229 0.537 . . . . 0.0 112.306 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -88.71 121.56 31.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 114.9 -1.045 . . . . 0.0 108.676 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.566 ' HB2' ' HG2' ' A' ' 87' ' ' GLU . . . -122.07 150.86 41.54 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -178.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.4 t -104.0 141.94 18.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.269 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.15 132.62 35.08 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.221 0.326 . . . . 0.0 111.628 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.2 mp -102.73 -16.51 15.96 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -151.77 -179.86 7.81 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -88.0 152.44 22.04 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.018 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -151.35 134.74 16.12 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.142 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 64.1 mtt -109.39 133.44 53.06 Favored 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.27 0.356 . . . . 0.0 110.379 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.34 110.14 31.4 Favored Pre-proline 0 CA--C 1.537 0.47 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -78.46 -56.43 0.04 OUTLIER 'Trans proline' 0 C--N 1.364 1.37 0 C-N-CA 122.679 2.253 . . . . 0.0 112.288 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -91.26 167.06 12.59 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.486 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.1 t -58.28 -40.35 81.69 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.974 -1.012 . . . . 0.0 113.232 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.429 ' HB3' HH11 ' A' ' 37' ' ' ARG . 0.0 OUTLIER -79.78 2.71 21.93 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -178.163 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -100.9 155.84 17.72 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 117.744 0.247 . . . . 0.0 110.902 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.464 HD13 HG23 ' A' ' 65' ' ' VAL . 5.6 mt -117.57 140.62 49.38 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.6 m -89.59 122.16 32.47 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 76.9 mt -128.62 122.82 58.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.425 ' H ' ' CD ' ' A' ' 45' ' ' GLN . 78.3 m-70 -89.26 160.76 16.76 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.222 178.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 70.2 ttt-85 -63.97 117.23 6.73 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.348 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.45 0.16 46.73 Favored Glycine 0 C--N 1.339 0.696 0 C-N-CA 120.855 -0.688 . . . . 0.0 114.194 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.425 ' CD ' ' H ' ' A' ' 42' ' ' HIS . 25.9 mt-30 -75.72 151.95 37.56 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 117.759 0.779 . . . . 0.0 111.867 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.1 t -90.66 115.08 29.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.996 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.9 t -124.05 124.9 69.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-O 120.891 0.377 . . . . 0.0 111.824 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -94.61 127.62 40.69 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.265 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.9 t -89.1 121.42 39.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.161 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -100.57 -34.44 9.9 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.764 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.7 p -145.49 145.24 30.99 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -117.78 117.97 30.78 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.398 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.629 HD23 ' HB3' ' A' ' 11' ' ' LYS . 33.2 mt -79.35 141.54 36.85 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.047 0.217 . . . . 0.0 111.433 -178.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 58' ' ' ARG . 9.1 mtpm? -133.88 175.68 9.25 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.47 -98.5 2.45 Favored Glycine 0 C--N 1.335 0.528 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.964 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 73.0 mmt-85 -79.35 -21.17 46.17 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 122.236 0.215 . . . . 0.0 111.456 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -144.43 67.66 0.43 Allowed Glycine 0 C--N 1.334 0.459 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.234 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -72.41 -7.65 50.89 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.809 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.2 mp -96.32 -7.64 34.77 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.812 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -102.07 133.52 46.77 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.401 0.619 . . . . 0.0 111.88 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 31.7 m0 -118.8 -175.91 2.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.731 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -160.58 159.87 31.31 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 121.188 -0.529 . . . . 0.0 112.305 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.38 -153.04 23.35 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 121.283 -0.484 . . . . 0.0 112.397 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.6 t -127.06 159.88 32.84 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 122.258 0.223 . . . . 0.0 110.586 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.464 HG23 HD13 ' A' ' 39' ' ' LEU . 43.9 t -111.89 122.47 66.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.264 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -93.77 134.07 36.49 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.416 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 141.05 -52.82 0.67 Allowed Glycine 0 C--N 1.334 0.438 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.437 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -107.46 117.85 35.17 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.553 0.216 . . . . 0.0 110.648 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -121.47 -70.09 0.8 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 13.4 p90 35.25 44.98 0.18 Allowed 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.697 1.199 . . . . 0.0 113.643 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 139.68 -81.83 0.25 Allowed Glycine 0 C--N 1.336 0.532 0 CA-C-N 115.883 -0.598 . . . . 0.0 112.461 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -131.7 -91.29 0.41 Allowed 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 119.154 -0.451 . . . . 0.0 111.467 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 tm? 64.93 -78.27 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.043 0.937 . . . . 0.0 111.62 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.61 78.14 5.07 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 120.81 0.338 . . . . 0.0 111.668 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -165.67 -17.26 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.553 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -110.45 -8.12 14.7 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.5 mt 60.1 176.47 0.09 Allowed 'General case' 0 N--CA 1.478 0.953 0 O-C-N 124.058 0.849 . . . . 0.0 112.713 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -169.51 -174.94 38.31 Favored Glycine 0 C--N 1.336 0.551 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.897 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -126.74 151.94 47.52 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.945 0.372 . . . . 0.0 111.196 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -154.97 150.84 21.89 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.918 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.45 ' O ' HG12 ' A' ' 84' ' ' ILE . 9.2 Cg_exo -72.73 142.4 35.65 Favored 'Trans proline' 0 C--N 1.367 1.51 0 C-N-CA 122.505 2.136 . . . . 0.0 111.983 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 97.2 p -64.33 -26.36 68.44 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.646 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.3 p -66.15 -16.18 63.75 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.529 HG13 HG13 ' A' ' 85' ' ' VAL . 22.6 pt -96.69 -4.77 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.529 HG13 HG13 ' A' ' 84' ' ' ILE . 34.0 m -127.16 163.92 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-O 121.05 0.452 . . . . 0.0 112.055 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.5 ttt180 -135.83 116.06 13.48 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.891 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.566 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 52.0 mt-10 -89.25 123.92 33.91 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.038 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -126.47 -25.96 3.37 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.613 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -121.83 127.01 50.08 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.409 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.7 m -108.8 118.93 38.06 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.2 mt -85.49 -23.74 27.65 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -177.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.558 ' HE2' ' HB1' ' A' ' 14' ' ' ALA . 11.5 mtpt -166.08 142.31 4.17 Favored Pre-proline 0 N--CA 1.476 0.834 0 O-C-N 123.737 0.648 . . . . 0.0 111.411 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -61.5 130.61 32.41 Favored 'Trans proline' 0 C--N 1.37 1.708 0 C-N-CA 122.97 2.447 . . . . 0.0 113.548 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -98.6 77.82 0.56 Allowed Glycine 0 C--N 1.333 0.39 0 N-CA-C 110.466 -1.054 . . . . 0.0 110.466 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.7 pttt -122.41 33.47 5.44 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -177.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 53.1 t -121.73 110.53 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -81.86 115.12 20.91 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.325 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 25.1 t -123.35 122.97 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.032 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.53 166.87 20.76 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.081 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.7 p -97.52 162.94 13.07 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -121.72 -167.77 1.58 Allowed 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.841 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -42.6 88.12 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.444 0.698 . . . . 0.0 112.698 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -72.01 -16.12 62.06 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -79.15 147.98 32.5 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 60.07 41.39 17.28 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.705 0.628 . . . . 0.0 110.566 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -149.44 114.51 5.43 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.093 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 60.1 m -111.17 143.3 42.14 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.734 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.755 179.665 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.731 0.3 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 166.88 168.89 29.75 Favored Glycine 0 C--N 1.332 0.328 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.423 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -82.1 101.97 1.18 Allowed 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 122.412 2.075 . . . . 0.0 112.248 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -113.03 159.92 32.88 Favored Pre-proline 0 CA--C 1.541 0.627 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.232 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -49.26 151.19 6.73 Favored 'Trans proline' 0 C--N 1.375 1.956 0 C-N-CA 123.218 2.612 . . . . 0.0 113.913 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -69.76 169.65 12.53 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.776 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.3 tp -118.76 -32.14 4.61 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.475 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -150.36 170.54 18.8 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.42 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -109.31 -41.56 4.61 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.94 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -134.78 162.13 33.24 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.638 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.456 ' HB3' HD23 ' A' ' 53' ' ' LEU . 36.8 pttt -137.97 170.09 16.64 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.19 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.0 mt -118.31 111.97 19.44 Favored 'General case' 0 CA--C 1.523 -0.086 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.388 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 64.7 m -108.8 178.14 4.56 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.809 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.533 ' HB1' ' HG2' ' A' ' 92' ' ' LYS . . . -88.68 -22.27 23.49 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.18 178.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -146.86 172.44 13.66 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.679 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -65.84 -26.33 67.61 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.972 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.11 -11.77 43.01 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 80.9 m 56.39 28.94 14.31 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.345 0.593 . . . . 0.0 110.119 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.4 t -97.43 0.57 47.94 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.683 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -105.54 146.86 33.63 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.711 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.403 ' HB2' HD12 ' A' ' 91' ' ' LEU . 36.0 Cg_endo -90.26 114.08 0.5 Allowed 'Trans proline' 0 C--N 1.365 1.435 0 C-N-CA 122.788 2.325 . . . . 0.0 111.613 178.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.8 mt -62.07 -59.53 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.4 t -136.76 171.35 14.62 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.239 0.542 . . . . 0.0 111.691 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 19.9 ttp -118.48 100.86 7.73 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.09 143.57 29.21 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.8 t -98.67 139.32 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.316 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.04 132.57 35.12 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.172 0.295 . . . . 0.0 111.261 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -97.25 -19.55 18.5 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -148.91 -177.3 5.73 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -90.49 148.28 22.84 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.889 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -151.41 134.95 16.22 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.791 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.503 ' HA ' HG23 ' A' ' 40' ' ' THR . 53.1 tpp -110.79 135.16 51.77 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.446 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . . . -78.51 114.99 47.96 Favored Pre-proline 0 CA--C 1.537 0.459 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -179.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 4.4 Cg_exo -77.43 -58.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.365 1.438 0 C-N-CA 122.473 2.116 . . . . 0.0 112.366 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -91.54 169.09 11.04 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.127 0.489 . . . . 0.0 112.015 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.1 t -63.25 -24.82 68.04 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -96.86 14.63 24.63 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -109.65 162.34 14.52 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.243 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.0 mt -113.92 145.33 41.66 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.503 HG23 ' HA ' ' A' ' 32' ' ' MET . 37.0 m -97.47 112.12 24.1 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 177.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.0 mt -113.88 147.83 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.6 -177.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -112.29 154.92 24.92 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.944 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -64.44 117.28 7.08 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.502 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.32 -2.64 50.49 Favored Glycine 0 C--N 1.339 0.709 0 C-N-CA 120.921 -0.657 . . . . 0.0 114.243 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -80.23 155.46 27.34 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 117.543 0.672 . . . . 0.0 111.631 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.1 t -95.08 117.45 38.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.035 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.569 HG22 HG13 ' A' ' 65' ' ' VAL . 21.5 t -114.9 124.29 71.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.092 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -91.52 121.49 33.26 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.444 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.3 t -88.22 122.76 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.074 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -101.61 -26.06 13.66 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 77.3 p -153.06 160.41 42.94 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -126.64 112.92 16.04 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.456 HD23 ' HB3' ' A' ' 11' ' ' LYS . 56.5 mt -69.79 153.3 43.53 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -178.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -133.4 154.93 50.34 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.534 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.74 110.57 0.14 Allowed Glycine 0 C--N 1.338 0.644 0 C-N-CA 121.311 -0.471 . . . . 0.0 112.926 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.0 mtp-105 71.17 -64.66 0.37 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.728 1.211 . . . . 0.0 111.59 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -103.96 44.97 1.38 Allowed Glycine 0 N--CA 1.451 -0.314 0 N-CA-C 111.684 -0.566 . . . . 0.0 111.684 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.8 ptt-85 -69.41 -11.27 60.68 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.3 mt -91.49 11.35 24.33 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.667 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -115.65 129.2 56.41 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.094 0.473 . . . . 0.0 111.313 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 38.0 m0 -111.16 138.46 47.57 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.802 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -102.24 159.6 17.86 Favored Glycine 0 C--N 1.33 0.202 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.152 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 159.44 -157.11 28.26 Favored Glycine 0 C--N 1.334 0.447 0 C-N-CA 121.375 -0.441 . . . . 0.0 112.48 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.4 p -130.06 157.67 41.74 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 122.179 0.192 . . . . 0.0 110.565 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.583 ' HB ' HD23 ' A' ' 73' ' ' LEU . 38.6 t -110.01 122.31 64.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.96 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -81.28 132.67 35.35 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.432 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 157.16 -38.62 0.56 Allowed Glycine 0 C--N 1.333 0.406 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.209 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -120.9 102.02 8.08 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.722 0.296 . . . . 0.0 110.782 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -119.54 74.84 1.03 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.366 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -147.23 12.72 1.07 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.632 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 126.98 24.09 1.36 Allowed Glycine 0 C--N 1.34 0.758 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.515 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 48.0 p-10 -155.32 173.54 16.49 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.848 0.324 . . . . 0.0 111.568 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.583 HD23 ' HB ' ' A' ' 65' ' ' VAL . 8.2 mp 62.31 -86.02 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.843 0 O-C-N 124.15 0.906 . . . . 0.0 112.18 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.61 77.89 9.74 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.041 0.448 . . . . 0.0 111.064 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.89 -40.15 0.1 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.192 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.71 8.57 5.35 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.981 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 57.6 mt 61.73 169.33 0.11 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.826 0.85 . . . . 0.0 113.245 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -162.91 -175.39 33.89 Favored Glycine 0 C--N 1.336 0.555 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.747 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -123.67 154.2 39.71 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.974 0.387 . . . . 0.0 111.299 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -154.47 150.38 21.88 Favored Pre-proline 0 CA--C 1.542 0.647 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.904 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.83 132.47 17.13 Favored 'Trans proline' 0 C--N 1.365 1.4 0 C-N-CA 122.217 1.944 . . . . 0.0 111.494 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 90.0 p -64.97 -18.7 65.5 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.596 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.6 p -65.94 -23.1 66.54 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 32.8 pt -95.94 -2.44 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 26.7 m -125.24 164.66 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 120.628 0.251 . . . . 0.0 111.586 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 64.1 ttt-85 -136.05 113.08 10.39 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.226 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -73.02 137.31 45.3 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.179 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -147.95 -41.92 0.17 Allowed 'General case' 0 C--O 1.234 0.25 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 -115.76 107.8 15.52 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.4 m -81.82 113.69 19.94 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.721 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.403 HD12 ' HB2' ' A' ' 21' ' ' PRO . 12.6 mt -86.1 -12.97 48.65 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.593 -178.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.533 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -171.28 130.9 0.77 Allowed Pre-proline 0 CA--C 1.543 0.683 0 O-C-N 123.745 0.653 . . . . 0.0 110.459 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -53.76 130.39 38.78 Favored 'Trans proline' 0 C--N 1.369 1.65 0 C-N-CA 122.549 2.166 . . . . 0.0 113.09 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -108.65 94.31 0.84 Allowed Glycine 0 C--N 1.335 0.523 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.8 ptpp? -142.97 33.3 1.37 Allowed 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.3 t -116.64 132.32 66.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.912 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -98.91 117.83 34.29 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.87 0.367 . . . . 0.0 111.537 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 39.0 t -126.66 128.39 71.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.063 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -78.11 161.42 27.41 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.615 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.8 p -81.07 172.01 14.24 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.639 0.256 . . . . 0.0 111.207 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.59 -177.8 3.24 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.517 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -74.6 -40.37 61.61 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.409 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 62.5 m95 -76.71 -2.83 34.92 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.467 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -79.45 149.91 31.42 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 58.82 25.8 13.99 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.615 0.766 . . . . 0.0 111.102 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -137.39 110.03 7.53 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.423 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 53.9 t -111.39 114.49 27.66 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.333 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.641 -179.475 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.655 0.264 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 114.49 177.86 19.0 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.703 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.581 ' HD3' HE21 ' A' ' 108' ' ' GLN . 9.0 Cg_endo -80.85 105.61 1.7 Allowed 'Trans proline' 0 C--N 1.363 1.306 0 C-N-CA 122.544 2.163 . . . . 0.0 111.933 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 42.8 mtm -117.11 166.07 13.93 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.463 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.72 154.0 22.29 Favored 'Trans proline' 0 C--N 1.378 2.109 0 C-N-CA 122.464 2.109 . . . . 0.0 112.554 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -74.28 171.93 12.75 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.476 0.655 . . . . 0.0 112.117 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.462 ' HB3' ' HZ ' ' A' ' 105' ' ' PHE . 4.8 tp -127.79 -31.89 2.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.22 -178.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.23 -176.38 4.59 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.621 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -124.74 -42.38 2.07 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 65.3 mtt85 -134.87 157.51 46.63 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.655 0.264 . . . . 0.0 111.193 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.609 ' HB3' HD23 ' A' ' 53' ' ' LEU . 21.4 pttm -138.02 165.37 26.74 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.641 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.5 mt -111.77 110.13 20.33 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.759 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 62.0 m -106.49 175.89 5.35 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 123.567 0.542 . . . . 0.0 111.045 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.459 ' HB1' ' HG2' ' A' ' 92' ' ' LYS . . . -89.8 -26.42 20.58 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.414 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -136.55 169.99 16.79 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.19 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -67.91 -22.14 65.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.178 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -89.36 -13.96 36.69 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.503 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.1 m 58.72 26.06 14.15 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.617 0.722 . . . . 0.0 109.964 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.3 t -101.39 0.09 36.37 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 114.792 -1.094 . . . . 0.0 111.035 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -101.79 145.94 31.37 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.629 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.457 ' HB2' HD12 ' A' ' 91' ' ' LEU . 36.2 Cg_endo -91.01 117.38 0.53 Allowed 'Trans proline' 0 C--N 1.366 1.476 0 C-N-CA 122.871 2.38 . . . . 0.0 111.717 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.4 mt -63.84 -64.73 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.245 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.0 m -139.46 142.48 37.37 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.041 0.448 . . . . 0.0 111.809 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -89.88 113.59 25.22 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.275 -0.875 . . . . 0.0 108.891 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.34 146.23 38.65 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.118 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.7 t -97.47 142.37 14.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.38 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.6 133.81 34.41 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.323 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.457 HD21 ' HB2' ' A' ' 86' ' ' ARG . 3.2 mm? -97.45 -16.88 19.96 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -179.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -148.94 178.21 8.89 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -86.83 149.82 24.56 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.174 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -151.37 124.58 8.77 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.536 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.492 ' HA ' HG23 ' A' ' 40' ' ' THR . 26.4 mmt -106.53 130.43 54.31 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . . . -112.78 130.33 23.58 Favored Pre-proline 0 C--O 1.234 0.289 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 1.1 Cg_endo -84.58 -61.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.362 1.285 0 C-N-CA 122.989 2.46 . . . . 0.0 112.618 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.409 ' OD1' ' HB2' ' A' ' 37' ' ' ARG . 2.1 p30 -92.12 170.97 9.41 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -179.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 33.6 t -66.24 -15.14 62.95 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.972 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.459 ' NH2' HD13 ' A' ' 7' ' ' LEU . 32.5 mtp180 -69.84 -21.07 63.4 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.658 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -121.9 156.86 32.45 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.591 -0.444 . . . . 0.0 111.479 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.9 mt -108.91 141.43 40.98 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.617 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.492 HG23 ' HA ' ' A' ' 32' ' ' MET . 31.9 m -89.18 108.96 19.9 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.1 mt -114.45 147.91 17.6 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.151 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -111.18 156.44 21.42 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.154 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -65.67 115.23 5.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.625 -178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.34 -0.57 53.81 Favored Glycine 0 C--N 1.339 0.722 0 C-N-CA 121.009 -0.615 . . . . 0.0 113.994 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -80.78 164.31 22.82 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 117.587 0.694 . . . . 0.0 111.788 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.3 t -98.07 116.18 40.09 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.117 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.533 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.7 t -112.42 128.15 69.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.632 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -97.63 120.41 37.96 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.762 -0.199 . . . . 0.0 110.514 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.0 t -86.18 120.91 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -99.94 -32.33 11.03 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.415 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 77.6 p -149.96 160.52 43.54 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -179.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -125.81 108.87 11.89 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.496 -0.775 . . . . 0.0 108.91 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.609 HD23 ' HB3' ' A' ' 11' ' ' LYS . 52.3 mt -67.62 155.74 38.46 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -178.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -132.81 -172.87 3.03 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.576 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.12 -104.21 2.94 Favored Glycine 0 C--N 1.339 0.749 0 C-N-CA 121.32 -0.467 . . . . 0.0 112.476 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.8 ptt-85 -103.04 -3.56 25.8 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.583 0.23 . . . . 0.0 110.802 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -133.6 53.65 0.79 Allowed Glycine 0 C--N 1.337 0.611 0 C-N-CA 121.186 -0.531 . . . . 0.0 112.512 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -72.49 -13.42 61.42 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 179.69 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.589 HD23 ' H ' ' A' ' 59' ' ' LEU . 1.2 pt? -95.23 5.2 52.41 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.715 179.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -107.48 120.35 41.93 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.048 0.451 . . . . 0.0 110.967 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 36.8 m0 -110.99 127.91 55.68 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.99 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.93 160.84 24.33 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.696 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 162.26 -153.52 24.2 Favored Glycine 0 C--N 1.334 0.423 0 N-CA-C 112.237 -0.345 . . . . 0.0 112.237 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.4 m -149.49 130.87 14.7 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.3 p -90.64 136.02 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.704 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.423 HE21 ' HB3' ' A' ' 66' ' ' GLN . 3.3 mt-30 -85.24 -174.78 5.41 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.339 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.34 -60.55 0.32 Allowed Glycine 0 C--N 1.339 0.727 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -114.23 -2.26 13.41 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -103.17 99.27 9.12 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.13 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.408 ' HE1' ' HB2' ' A' ' 72' ' ' ASP . 1.5 p90 -82.53 -129.38 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.589 -179.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.86 -44.92 6.56 Favored Glycine 0 C--N 1.345 1.075 0 CA-C-N 118.948 0.794 . . . . 0.0 113.692 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.408 ' HB2' ' HE1' ' A' ' 70' ' ' TYR . 1.8 m-20 -73.21 -24.17 60.48 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 mt -96.44 98.77 10.51 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.927 0.394 . . . . 0.0 111.955 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.405 ' H ' ' H ' ' A' ' 75' ' ' ALA . . . 175.08 -14.69 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.074 178.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.405 ' H ' ' H ' ' A' ' 74' ' ' ALA . . . -66.87 -38.62 86.65 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.698 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 -78.57 90.45 4.53 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.555 0.693 . . . . 0.0 109.986 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.98 125.86 27.65 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.239 -178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -119.44 167.0 13.28 Favored Glycine 0 C--N 1.337 0.588 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.81 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -115.41 156.16 26.08 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.954 0.377 . . . . 0.0 111.065 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -152.14 153.58 31.32 Favored Pre-proline 0 CA--C 1.541 0.624 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.821 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -72.08 132.61 19.95 Favored 'Trans proline' 0 C--N 1.367 1.541 0 C-N-CA 122.369 2.046 . . . . 0.0 112.192 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 99.6 p -65.53 -22.07 66.68 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.333 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.8 t -66.25 -21.18 66.28 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.0 pt -99.35 0.64 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.1 m -119.6 156.1 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 120.801 0.334 . . . . 0.0 111.519 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.457 ' HB2' HD21 ' A' ' 28' ' ' LEU . 39.0 ttm180 -134.79 108.7 8.1 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.366 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -70.83 119.2 14.61 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.786 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -107.28 -39.5 5.67 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.328 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.432 ' NE2' HD23 ' A' ' 91' ' ' LEU . 0.8 OUTLIER -137.87 144.06 41.2 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.722 -179.382 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.4 m -102.92 120.68 41.05 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.457 HD12 ' HB2' ' A' ' 21' ' ' PRO . 12.0 mt -86.52 -27.1 24.21 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.753 -178.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.459 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -159.57 133.39 5.04 Favored Pre-proline 0 CA--C 1.543 0.703 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.585 -179.566 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.4 ' HD2' ' HG3' ' A' ' 92' ' ' LYS . 87.1 Cg_exo -55.31 127.53 26.64 Favored 'Trans proline' 0 C--N 1.369 1.644 0 C-N-CA 123.164 2.576 . . . . 0.0 113.643 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.427 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -103.31 81.07 0.35 Allowed Glycine 0 C--N 1.335 0.473 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.586 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -128.71 30.67 5.08 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.2 t -115.01 135.63 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.012 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -106.89 111.74 24.38 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.889 0.376 . . . . 0.0 111.093 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 33.7 t -125.49 129.76 72.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.16 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -78.9 162.94 25.68 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.59 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 75.3 p -87.52 143.7 27.08 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.072 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -101.57 -122.03 0.17 Allowed 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.08 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.01 -15.86 8.17 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 118.455 0.57 . . . . 0.0 111.459 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -85.27 -2.61 58.25 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.16 0.288 . . . . 0.0 111.592 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.82 -36.45 56.87 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.709 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.462 ' HZ ' ' HB3' ' A' ' 7' ' ' LEU . 65.6 m-85 -121.97 52.53 1.27 Allowed 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.659 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -150.15 104.06 3.23 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.272 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 58.4 m -117.34 91.5 3.59 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.453 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.581 HE21 ' HD3' ' A' ' 3' ' ' PRO . 29.6 mt-30 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.974 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 116.64 174.79 17.47 Favored Glycine 0 CA--C 1.523 0.558 0 CA-C-O 119.452 -0.638 . . . . 0.0 112.241 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -80.0 121.72 4.57 Favored 'Trans proline' 0 C--N 1.359 1.095 0 C-N-CA 122.416 2.077 . . . . 0.0 112.606 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.74 178.53 1.62 Allowed Pre-proline 0 CA--C 1.556 1.208 0 CA-C-O 118.052 -0.975 . . . . 0.0 108.876 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -47.12 146.57 6.23 Favored 'Trans proline' 0 C--N 1.383 2.376 0 C-N-CA 122.738 2.292 . . . . 0.0 114.144 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.414 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -90.29 -5.07 56.71 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.056 -0.974 . . . . 0.0 112.191 -179.267 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 73.09 -37.96 0.4 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.043 0.937 . . . . 0.0 112.641 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.89 -169.75 3.45 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.246 0.218 . . . . 0.0 111.244 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -124.11 -41.17 2.22 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.433 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.434 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 10.4 mpt_? -123.75 151.27 43.42 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.776 0.322 . . . . 0.0 111.047 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -127.9 173.05 10.32 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.77 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.6 mt -123.28 120.5 33.28 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.981 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.422 ' HA ' HD11 ' A' ' 22' ' ' ILE . 74.4 m -122.67 176.05 6.17 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.738 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.52 ' HB1' ' HG2' ' A' ' 92' ' ' LYS . . . -80.44 -41.66 24.08 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.965 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -124.63 172.48 9.22 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.57 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -68.49 -20.95 64.63 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.62 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -88.76 -17.51 29.68 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.678 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.8 t 56.9 29.89 17.01 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.781 0.8 . . . . 0.0 109.851 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.3 t -94.19 -6.76 44.02 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 114.625 -1.171 . . . . 0.0 110.899 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -100.01 147.51 33.57 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.6 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.409 ' HB2' HD12 ' A' ' 91' ' ' LEU . 33.9 Cg_endo -91.43 123.32 0.77 Allowed 'Trans proline' 0 C--N 1.367 1.504 0 C-N-CA 122.883 2.389 . . . . 0.0 111.955 179.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.422 HD11 ' HA ' ' A' ' 13' ' ' CYS . 59.2 mt -68.21 -64.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.245 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.6 t -138.2 137.37 37.51 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.124 0.488 . . . . 0.0 112.223 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.431 ' HB2' HD11 ' A' ' 91' ' ' LEU . 16.4 tmm? -89.56 117.95 28.84 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.22 150.65 39.07 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -177.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.9 t -103.66 133.02 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.312 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.8 134.34 47.3 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.413 HD11 ' HB2' ' A' ' 86' ' ' ARG . 74.9 mt -101.05 -15.7 17.35 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.463 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -152.24 -177.23 6.06 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -92.4 151.82 20.05 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.491 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -151.68 135.35 16.28 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.499 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 92.0 mtp -107.17 132.88 52.54 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.442 0.464 . . . . 0.0 110.425 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . . . -92.44 116.29 66.24 Favored Pre-proline 0 CA--C 1.537 0.456 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 6.3 Cg_exo -79.43 -60.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.365 1.408 0 C-N-CA 122.793 2.329 . . . . 0.0 111.829 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -90.71 165.38 13.72 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.182 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.484 ' HB2' ' HB2' ' A' ' 107' ' ' CYS . 39.5 m -62.89 -26.72 68.92 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.614 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -67.41 -22.53 65.53 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -99.5 160.22 14.45 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.9 mt -114.59 141.66 47.46 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.949 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 93.8 m -89.92 116.16 27.77 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.5 mt -121.61 137.63 54.61 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.208 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -100.99 156.18 17.55 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.499 178.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -62.93 113.38 3.04 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.441 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.12 3.77 41.67 Favored Glycine 0 C--N 1.34 0.752 0 C-N-CA 121.026 -0.607 . . . . 0.0 114.413 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -81.97 146.2 29.87 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 117.928 0.864 . . . . 0.0 111.723 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.3 t -83.99 115.89 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.593 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.501 HG22 HG23 ' A' ' 65' ' ' VAL . 5.5 t -124.78 126.27 71.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-O 120.67 0.271 . . . . 0.0 110.848 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -92.88 137.08 32.68 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.745 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.4 HG22 ' HZ ' ' A' ' 80' ' ' PHE . 37.3 t -97.66 132.35 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.261 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -116.76 -37.28 3.68 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.719 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.1 p -136.07 148.34 48.26 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -125.71 112.83 16.55 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.185 178.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.3 mt -69.97 145.4 51.88 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -115.91 -176.62 2.98 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.91 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.84 -126.71 7.92 Favored Glycine 0 C--N 1.339 0.718 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.695 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.5 ptt-85 -78.22 -12.68 60.01 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.585 0.231 . . . . 0.0 111.365 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -119.55 53.99 0.66 Allowed Glycine 0 C--N 1.336 0.542 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.16 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -15.67 62.56 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 122.271 0.228 . . . . 0.0 111.553 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.553 HD23 ' H ' ' A' ' 59' ' ' LEU . 1.1 pt? -100.06 7.71 44.49 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.936 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -107.22 119.84 40.48 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.504 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 32.9 m0 -111.72 -171.87 1.93 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.856 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.468 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -166.42 157.63 30.2 Favored Glycine 0 C--N 1.336 0.582 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.38 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 171.61 -148.58 11.12 Favored Glycine 0 C--N 1.333 0.383 0 N-CA-C 112.09 -0.404 . . . . 0.0 112.09 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.3 p -133.45 138.63 46.28 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.501 HG23 HG22 ' A' ' 47' ' ' VAL . 7.6 p -90.6 126.43 43.38 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 121.235 0.541 . . . . 0.0 111.739 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -90.13 -19.24 24.51 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.77 -67.99 1.82 Allowed Glycine 0 C--N 1.342 0.879 0 CA-C-N 116.2 -0.455 . . . . 0.0 113.657 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.5 p-10 -112.85 153.21 28.24 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.54 0.21 . . . . 0.0 111.057 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -136.64 -97.78 0.21 Allowed 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 48.2 61.19 3.14 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 123.087 0.555 . . . . 0.0 111.231 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.06 130.86 3.55 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -178.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -39.16 113.97 0.36 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.686 0.794 . . . . 0.0 112.256 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.5 tp -146.96 -39.32 0.2 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.045 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.46 -8.29 59.02 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.412 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.93 -19.57 17.98 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.651 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.45 0.77 21.19 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.836 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.4 mt 57.79 -179.9 0.06 Allowed 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.44 -176.48 38.24 Favored Glycine 0 C--N 1.337 0.586 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.364 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.468 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 99.0 m-85 -134.89 147.64 49.89 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 117.097 0.448 . . . . 0.0 111.029 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.4 ' HZ ' HG22 ' A' ' 49' ' ' VAL . 40.4 p90 -152.71 158.13 33.22 Favored Pre-proline 0 CA--C 1.546 0.818 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.372 -178.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -76.97 135.82 15.93 Favored 'Trans proline' 0 C--N 1.368 1.6 0 C-N-CA 122.454 2.103 . . . . 0.0 111.962 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 97.0 p -65.91 -19.76 65.98 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.6 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.4 p -66.86 -16.84 64.57 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.9 pt -102.45 2.21 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.7 m -119.15 155.24 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.413 ' HB2' HD11 ' A' ' 28' ' ' LEU . 55.7 ttt180 -120.87 112.49 18.86 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.025 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -85.85 140.41 30.44 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.762 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -153.64 -30.69 0.12 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.759 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 45.6 tp60 -122.88 119.67 31.21 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.4 m -102.38 115.88 31.47 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' ' 24' ' ' MET . 8.7 mt -86.04 -19.2 30.64 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -177.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.52 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -168.08 131.81 1.39 Allowed Pre-proline 0 N--CA 1.473 0.703 0 O-C-N 123.357 0.41 . . . . 0.0 110.993 -179.377 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -57.21 129.06 32.24 Favored 'Trans proline' 0 C--N 1.371 1.723 0 C-N-CA 123.029 2.486 . . . . 0.0 113.574 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -105.7 82.45 0.33 Allowed Glycine 0 C--N 1.333 0.39 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 179.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.2 ptpp? -125.12 29.49 6.09 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 53.4 t -115.93 133.95 60.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -103.11 117.05 33.68 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.906 0.384 . . . . 0.0 111.258 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.8 t -123.44 133.02 70.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.865 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.434 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 24.3 pttm -80.07 163.74 23.93 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.433 0.159 . . . . 0.0 110.821 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.0 p -94.72 157.84 15.78 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.423 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -111.14 -172.1 1.96 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.547 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.27 -17.73 51.34 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.766 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -76.33 -22.53 54.83 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.764 0.316 . . . . 0.0 110.385 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.21 139.82 38.94 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.854 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.407 ' HB2' ' HG3' ' A' ' 6' ' ' LYS . 80.9 m-85 58.23 46.05 16.34 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 123.951 0.782 . . . . 0.0 111.127 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -141.45 101.38 3.98 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.113 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.484 ' HB2' ' HB2' ' A' ' 36' ' ' CYS . 42.4 t -98.17 134.25 41.48 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.781 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.83 -179.937 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 ptp . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 121.605 0.717 . . . . 0.0 111.535 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -171.2 162.77 35.58 Favored Glycine 0 C--N 1.336 0.543 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.685 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -84.38 125.65 3.48 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 122.267 1.978 . . . . 0.0 113.229 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.503 ' HG3' HH21 ' A' ' 37' ' ' ARG . 4.6 ppp? -128.44 155.68 78.24 Favored Pre-proline 0 CA--C 1.542 0.639 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.172 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -50.16 131.07 30.07 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.864 2.376 . . . . 0.0 113.52 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -56.75 134.49 54.97 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.615 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.4 tp -78.93 -34.83 44.19 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.17 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.62 169.83 18.18 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.834 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -110.03 -53.66 2.65 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.16 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -117.16 148.61 41.44 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.931 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.1 pttt -127.73 176.55 7.45 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.042 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.3 mt -120.61 119.76 33.81 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.517 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 57.2 m -125.86 175.91 7.33 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.671 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.16 -39.2 34.06 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.087 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -128.79 172.45 11.27 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -67.53 -19.66 65.33 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.034 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -88.72 -19.41 26.14 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.786 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.6 t 56.08 30.91 17.16 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.828 0.823 . . . . 0.0 109.956 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.5 t -100.73 17.07 22.92 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.468 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.402 ' ND1' ' HD3' ' A' ' 92' ' ' LYS . 8.8 m170 -121.36 148.5 49.93 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.789 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.447 ' HB2' HD12 ' A' ' 91' ' ' LEU . 31.0 Cg_endo -90.01 119.99 0.84 Allowed 'Trans proline' 0 C--N 1.365 1.412 0 C-N-CA 122.696 2.264 . . . . 0.0 111.912 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.1 mt -62.83 -64.34 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.043 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.4 m -141.47 145.92 35.83 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.088 0.471 . . . . 0.0 112.021 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -89.53 114.62 26.18 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.244 -0.889 . . . . 0.0 108.82 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.52 143.39 45.66 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.957 0.408 . . . . 0.0 111.974 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.5 t -96.59 136.23 28.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.127 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.41 133.74 39.8 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.943 0.402 . . . . 0.0 111.628 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.3 mt -100.12 -16.62 17.77 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.163 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -153.24 -175.91 5.55 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.36 155.59 17.15 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.947 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -151.32 146.64 26.15 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.815 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -115.47 137.45 52.04 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.012 0.195 . . . . 0.0 110.629 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.14 111.3 46.03 Favored Pre-proline 0 CA--C 1.538 0.512 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -75.21 -59.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.365 1.42 0 C-N-CA 122.666 2.244 . . . . 0.0 112.785 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -91.04 170.96 9.6 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.214 0.531 . . . . 0.0 112.377 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.4 p -62.74 -24.4 67.68 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.601 ' HB3' HH11 ' A' ' 37' ' ' ARG . 0.0 OUTLIER -99.54 16.44 23.31 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -178.202 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.454 ' HA ' ' H ' ' A' ' 79' ' ' TYR . 1.8 m-85 -109.51 163.58 13.3 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.739 HD21 HG23 ' A' ' 65' ' ' VAL . 54.2 tp -124.35 136.58 54.2 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -177.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.8 m -89.74 128.85 36.18 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.386 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 54.5 mt -128.29 149.06 32.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.79 -178.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -116.18 151.02 36.51 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -60.77 115.17 3.46 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.29 0.368 . . . . 0.0 111.698 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.14 6.72 44.9 Favored Glycine 0 C--N 1.339 0.728 0 CA-C-N 115.859 -0.609 . . . . 0.0 114.295 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -87.61 149.0 24.58 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 117.796 0.798 . . . . 0.0 112.21 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.1 t -80.63 117.0 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.072 0 CA-C-N 115.03 -0.986 . . . . 0.0 108.914 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.539 HG22 HG22 ' A' ' 65' ' ' VAL . 12.9 t -122.63 117.07 50.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.558 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -87.78 122.71 31.77 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.199 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.6 t -86.65 131.73 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -112.75 -33.16 6.19 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.0 p -146.93 148.37 31.7 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.8 mttm -120.57 114.03 21.13 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.6 mt -65.22 150.04 48.9 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -177.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -118.09 -41.2 2.9 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.017 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -66.97 100.83 0.59 Allowed Glycine 0 C--N 1.341 0.836 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.534 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.2 ptt85 43.88 25.02 0.08 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.995 1.318 . . . . 0.0 113.35 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -110.61 -58.69 0.49 Allowed Glycine 0 C--N 1.336 0.566 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 52.05 -74.89 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.145 1.378 . . . . 0.0 113.454 178.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 74.1 mt -75.94 -10.13 59.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.641 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -88.86 118.82 28.84 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.174 0.511 . . . . 0.0 110.783 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 52.6 m0 -110.45 -175.59 2.76 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.422 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -162.5 142.25 7.8 Favored Glycine 0 C--N 1.337 0.616 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.713 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.4 -147.08 6.52 Favored Glycine 0 C--N 1.337 0.635 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.777 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.6 p -136.08 169.58 17.38 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.584 0.226 . . . . 0.0 110.763 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.739 HG23 HD21 ' A' ' 39' ' ' LEU . 73.2 t -116.29 126.73 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.536 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -79.07 -93.94 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.093 178.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 76.87 -78.39 1.38 Allowed Glycine 0 C--N 1.343 0.948 0 C-N-CA 121.633 -0.317 . . . . 0.0 113.12 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -118.42 -34.98 3.88 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 122.431 0.292 . . . . 0.0 111.174 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.419 ' HA ' HD11 ' A' ' 73' ' ' LEU . 44.0 t80 58.44 93.09 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 O-C-N 124.312 1.008 . . . . 0.0 111.799 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -131.17 2.76 4.29 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.956 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.05 57.38 1.39 Allowed Glycine 0 C--N 1.339 0.731 0 C-N-CA 121.094 -0.574 . . . . 0.0 114.079 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -165.33 -40.53 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.616 0.246 . . . . 0.0 110.471 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.419 HD11 ' HA ' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -88.28 -18.42 28.6 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.165 -179.64 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.2 -20.54 30.04 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.677 0.275 . . . . 0.0 110.911 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.56 -176.59 4.35 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.421 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 37.34 82.58 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.161 0.984 . . . . 0.0 112.816 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.6 mt -59.1 123.94 18.28 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.768 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.474 ' HA3' ' HB2' ' A' ' 39' ' ' LEU . . . -117.69 167.62 12.82 Favored Glycine 0 C--N 1.333 0.4 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.669 -179.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.454 ' H ' ' HA ' ' A' ' 38' ' ' PHE . 17.7 m-85 -104.68 150.46 24.7 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.834 0.35 . . . . 0.0 110.98 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -152.37 151.15 26.79 Favored Pre-proline 0 CA--C 1.542 0.636 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.652 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.483 ' O ' HG12 ' A' ' 84' ' ' ILE . 11.2 Cg_exo -71.86 142.23 38.71 Favored 'Trans proline' 0 C--N 1.366 1.464 0 C-N-CA 122.264 1.976 . . . . 0.0 111.784 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 94.6 p -66.3 -22.09 66.28 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.212 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.5 p -67.58 -19.3 65.24 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.518 HG13 HG13 ' A' ' 85' ' ' VAL . 21.6 pt -92.58 -3.68 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 C-N-CA 120.42 -0.512 . . . . 0.0 112.214 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.518 HG13 HG13 ' A' ' 84' ' ' ILE . 33.9 m -126.46 168.19 19.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 120.964 0.411 . . . . 0.0 111.858 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -139.52 117.45 11.72 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.129 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -76.39 129.72 37.0 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.905 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -122.06 -35.04 3.23 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.465 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -143.89 140.78 29.94 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.103 0.252 . . . . 0.0 111.591 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 55.8 m -101.91 125.63 48.63 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.898 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.447 HD12 ' HB2' ' A' ' 21' ' ' PRO . 20.2 mt -87.19 -24.86 24.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.168 -179.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.402 ' HD3' ' ND1' ' A' ' 20' ' ' HIS . 0.6 OUTLIER -166.5 136.85 2.63 Favored Pre-proline 0 N--CA 1.469 0.497 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.482 179.06 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -62.79 123.72 12.81 Favored 'Trans proline' 0 C--N 1.366 1.493 0 C-N-CA 122.837 2.358 . . . . 0.0 113.252 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -100.42 89.92 0.87 Allowed Glycine 0 C--N 1.335 0.526 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.89 33.52 2.65 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 49.0 t -120.34 114.8 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.957 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -78.8 115.32 18.41 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.335 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 24.7 t -125.01 126.36 71.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.095 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -76.43 160.52 29.46 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.824 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 62.5 p -101.55 163.62 12.17 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.142 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -109.25 -177.53 3.32 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.527 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -77.69 -22.87 49.83 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.521 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 76.2 m95 -76.99 -14.28 59.86 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.439 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -80.93 -26.64 36.55 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -119.0 43.69 2.51 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.178 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -150.6 115.77 5.36 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.461 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.7 p -123.72 140.11 53.32 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.701 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.304 -0.855 . . . . 0.0 111.008 -179.71 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.68 0.276 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.18 177.13 14.81 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.946 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -78.89 110.52 2.8 Favored 'Trans proline' 0 C--N 1.363 1.326 0 C-N-CA 122.502 2.135 . . . . 0.0 111.867 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.7 ptm -142.74 149.52 50.4 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.327 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -89.12 167.31 5.51 Favored 'Trans proline' 0 C--N 1.362 1.24 0 C-N-CA 122.969 2.446 . . . . 0.0 113.461 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.824 ' HD3' HD11 ' A' ' 53' ' ' LEU . 3.9 mtpt -90.43 -160.65 0.72 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.644 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.591 ' H ' HD22 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -92.29 -22.58 19.66 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.479 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.459 ' HB3' HD13 ' A' ' 53' ' ' LEU . . . -115.32 -162.92 0.85 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.204 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -139.86 -20.76 0.89 Allowed 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.478 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 0.7 OUTLIER -128.95 149.24 50.89 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 120.722 0.296 . . . . 0.0 111.139 178.823 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.526 ' HB3' HD23 ' A' ' 53' ' ' LEU . 20.7 pttp -127.82 173.29 10.09 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.583 -179.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.3 mt -126.97 119.99 28.01 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.075 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.495 ' HA ' HD11 ' A' ' 22' ' ' ILE . 81.1 m -122.44 174.56 6.96 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.707 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -78.19 -31.16 49.38 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.214 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -145.02 173.85 11.54 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.971 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -64.41 -20.08 65.92 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.893 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -88.44 -22.25 23.8 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.766 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.4 t 57.6 28.58 15.87 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.833 0.825 . . . . 0.0 109.557 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.2 t -93.21 -9.62 38.6 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.969 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -96.18 147.25 32.68 Favored Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.45 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -89.77 120.39 0.92 Allowed 'Trans proline' 0 C--N 1.366 1.495 0 C-N-CA 122.787 2.325 . . . . 0.0 111.516 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.495 HD11 ' HA ' ' A' ' 13' ' ' CYS . 57.2 mt -66.17 -65.4 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.138 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.513 -179.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.8 m -138.98 141.37 38.38 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.154 0.502 . . . . 0.0 112.024 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.8 tmm? -90.12 114.64 26.61 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.642 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.61 145.45 42.69 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.2 t -95.37 141.53 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.603 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.72 135.57 34.08 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.27 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -100.35 -18.19 16.9 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -150.71 179.72 7.96 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -87.58 154.17 20.82 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.375 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -151.09 129.09 11.75 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.411 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 65.5 mtt -106.14 127.79 53.45 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 123.408 0.442 . . . . 0.0 110.508 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.97 120.27 61.85 Favored Pre-proline 0 CA--C 1.535 0.376 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -79.72 -64.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.363 1.331 0 C-N-CA 122.577 2.185 . . . . 0.0 111.729 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -91.93 169.9 10.29 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.445 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.8 t -64.73 -13.87 56.41 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.609 ' HD2' ' HG2' ' A' ' 6' ' ' LYS . 54.0 ttp85 -76.72 -30.04 56.48 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 117.894 0.315 . . . . 0.0 111.054 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -94.05 159.5 15.13 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.002 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.2 tp -119.14 139.11 52.35 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.93 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.9 m -88.48 121.18 30.58 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 64.3 mt -127.76 141.1 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.3 -178.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -103.34 154.68 19.12 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.405 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -64.29 122.57 16.97 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.797 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.74 -4.67 63.71 Favored Glycine 0 C--N 1.337 0.584 0 C-N-CA 121.089 -0.577 . . . . 0.0 114.073 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -80.94 152.63 27.95 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 117.468 0.634 . . . . 0.0 111.888 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.6 t -89.52 126.59 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-N 115.234 -0.893 . . . . 0.0 109.742 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.553 HG22 HG23 ' A' ' 65' ' ' VAL . 7.0 t -127.35 129.21 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.677 0.275 . . . . 0.0 110.969 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -95.37 126.47 40.7 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.585 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.3 t -90.23 130.17 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.329 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -111.23 -36.25 5.65 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.766 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 62.0 p -136.13 146.35 46.85 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -130.72 111.45 12.18 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.405 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.824 HD11 ' HD3' ' A' ' 6' ' ' LYS . 58.4 mt -70.9 156.13 39.96 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.449 0.166 . . . . 0.0 111.21 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -137.18 170.29 16.35 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.054 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.42 -98.45 2.09 Favored Glycine 0 C--N 1.336 0.576 0 CA-C-N 115.955 -0.566 . . . . 0.0 113.213 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.3 mmm-85 -73.7 -34.61 64.91 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 122.307 0.243 . . . . 0.0 111.295 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.3 60.24 0.68 Allowed Glycine 0 C--N 1.334 0.45 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.238 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -11.08 60.74 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 66.2 mt -101.76 6.58 41.8 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.091 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -113.04 124.02 51.64 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.192 0.52 . . . . 0.0 111.531 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 45.3 m0 -111.57 -171.81 1.91 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.813 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.505 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -166.49 156.55 28.51 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.413 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 167.21 -153.37 22.87 Favored Glycine 0 C--N 1.338 0.644 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.46 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 86.3 p -126.62 142.4 51.55 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.497 0.189 . . . . 0.0 110.604 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.553 HG23 HG22 ' A' ' 47' ' ' VAL . 7.2 p -92.29 124.36 44.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 121.289 0.566 . . . . 0.0 111.6 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -85.03 133.14 34.25 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.142 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 174.72 -24.44 0.07 OUTLIER Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.62 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -142.03 80.58 1.72 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.226 0.536 . . . . 0.0 110.962 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -100.46 -0.16 38.52 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.724 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -76.96 -27.24 54.73 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.834 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -117.35 -96.83 1.91 Allowed Glycine 0 N--CA 1.452 -0.245 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.962 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -158.87 119.92 3.33 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.62 -34.61 0.11 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.54 -5.37 47.34 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.15 -42.89 79.4 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.593 0.235 . . . . 0.0 110.663 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -82.91 118.67 23.62 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.392 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.4 tp -98.56 133.78 42.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.599 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -135.42 -168.94 11.72 Favored Glycine 0 C--N 1.338 0.686 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.793 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.505 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 65.1 m-85 -131.09 152.46 50.36 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.58 0.229 . . . . 0.0 110.808 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -150.64 151.42 30.56 Favored Pre-proline 0 CA--C 1.542 0.642 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.348 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.402 ' O ' HG12 ' A' ' 84' ' ' ILE . 7.4 Cg_exo -73.45 139.5 28.75 Favored 'Trans proline' 0 C--N 1.369 1.623 0 C-N-CA 122.467 2.111 . . . . 0.0 111.908 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 98.5 p -64.15 -20.07 65.73 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.893 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.3 t -65.42 -20.66 66.47 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.462 HG13 HG13 ' A' ' 85' ' ' VAL . 32.0 pt -96.78 -3.56 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.462 HG13 HG13 ' A' ' 84' ' ' ILE . 20.1 m -124.39 169.56 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 121.083 0.468 . . . . 0.0 111.928 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -142.96 115.24 8.44 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.018 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -62.77 134.38 56.18 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.936 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -117.82 -46.02 2.66 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.063 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.424 ' NE2' HD23 ' A' ' 91' ' ' LEU . 1.2 tm0? -148.72 135.02 19.41 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.1 m -88.87 120.98 30.77 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.424 HD23 ' NE2' ' A' ' 89' ' ' GLN . 9.8 mt -86.07 -30.98 22.19 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.402 -178.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -154.98 127.31 3.96 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.565 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -53.24 128.16 28.03 Favored 'Trans proline' 0 C--N 1.37 1.691 0 C-N-CA 122.806 2.337 . . . . 0.0 113.877 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -103.98 91.49 0.82 Allowed Glycine 0 C--N 1.335 0.488 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -132.85 28.67 4.19 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 41.3 t -117.03 133.68 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.29 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -101.29 120.03 39.64 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.904 0.383 . . . . 0.0 111.298 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.447 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 15.4 t -128.0 127.83 68.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.546 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.478 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -79.63 167.29 20.89 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.596 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.2 p -108.29 130.54 55.18 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.716 0.293 . . . . 0.0 111.218 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -102.29 -112.41 0.21 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.848 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.84 -3.26 4.66 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.415 0.552 . . . . 0.0 111.756 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -92.98 -9.66 39.11 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.675 0.274 . . . . 0.0 110.814 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -79.69 -28.2 40.67 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.281 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -143.48 83.88 1.79 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.326 0.584 . . . . 0.0 111.866 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -150.86 94.59 2.09 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.549 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 78.3 m -105.13 52.89 0.73 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.179 -178.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.358 -0.829 . . . . 0.0 110.371 179.545 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.684 0.278 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 125.53 172.37 13.41 Favored Glycine 0 C--N 1.334 0.469 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.53 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -83.43 107.18 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 C-N-CA 122.574 2.182 . . . . 0.0 112.551 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.87 176.29 1.58 Allowed Pre-proline 0 CA--C 1.553 1.082 0 CA-C-O 118.249 -0.882 . . . . 0.0 108.856 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -49.25 147.46 11.65 Favored 'Trans proline' 0 C--N 1.382 2.308 0 C-N-CA 122.349 2.033 . . . . 0.0 113.342 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.495 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 4.6 mptt -63.75 -38.54 91.49 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.104 -179.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 6' ' ' LYS . 1.1 pp 56.39 5.31 0.18 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.879 1.272 . . . . 0.0 113.554 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -163.73 174.13 12.01 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 122.471 0.309 . . . . 0.0 110.964 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -139.44 -53.04 0.55 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.145 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.458 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 1.4 mpp_? -127.69 151.14 49.34 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.473 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.468 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 56.8 pttt -119.78 165.53 14.44 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.008 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.0 mt -114.47 113.48 24.53 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.556 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.597 ' HA ' HD11 ' A' ' 22' ' ' ILE . 59.0 m -118.03 174.45 6.2 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.786 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.453 ' HB1' ' HG2' ' A' ' 92' ' ' LYS . . . -83.44 -30.56 27.18 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.326 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -140.88 174.79 10.18 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.016 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -67.5 -19.24 65.29 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.979 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -88.59 -20.52 24.88 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.574 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.1 t 56.04 30.74 16.76 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.904 0.859 . . . . 0.0 109.918 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.0 t -96.11 -4.18 43.25 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.948 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -106.28 147.53 35.04 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.736 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -90.82 130.13 1.45 Allowed 'Trans proline' 0 C--N 1.365 1.428 0 C-N-CA 122.991 2.461 . . . . 0.0 111.858 179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.597 HD11 ' HA ' ' A' ' 13' ' ' CYS . 5.2 mp -73.29 -62.89 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.117 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.343 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.2 m -132.62 144.01 50.07 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 25.5 ttp -93.62 109.73 21.35 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 87' ' ' GLU . . . -108.67 144.4 36.48 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.4 t -98.61 137.53 25.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.739 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.3 127.71 33.06 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 123.236 0.335 . . . . 0.0 111.452 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.0 mt -93.84 -17.54 22.97 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.414 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -153.55 -175.54 5.41 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.58 153.74 17.68 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.634 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -151.35 146.85 26.28 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.111 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.4 ' HA ' HG23 ' A' ' 40' ' ' THR . 26.4 mmt -117.79 142.61 47.1 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.39 106.63 14.36 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -78.98 -47.11 0.1 OUTLIER 'Trans proline' 0 C--N 1.367 1.506 0 C-N-CA 122.811 2.341 . . . . 0.0 112.166 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -89.16 161.86 16.25 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.568 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 36.7 t -63.72 -31.84 73.14 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.258 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.418 ' NH1' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -88.22 -0.09 56.71 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -89.3 169.16 11.66 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.622 0.249 . . . . 0.0 111.299 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.699 HD21 HG23 ' A' ' 65' ' ' VAL . 52.9 tp -128.71 137.6 51.69 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.82 -178.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.4 HG23 ' HA ' ' A' ' 32' ' ' MET . 42.5 m -91.09 127.98 36.73 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.69 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.8 mt -126.97 150.54 32.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.86 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -117.62 150.24 39.35 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -62.01 117.77 6.4 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.684 0.278 . . . . 0.0 111.52 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.58 -2.82 36.62 Favored Glycine 0 C--N 1.338 0.668 0 C-N-CA 120.927 -0.654 . . . . 0.0 114.1 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -83.08 144.53 29.83 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 117.663 0.732 . . . . 0.0 111.712 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.3 t -83.64 124.04 39.31 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.409 HG22 HG22 ' A' ' 65' ' ' VAL . 6.1 t -125.01 118.19 52.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 120.956 0.407 . . . . 0.0 111.345 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -86.03 123.49 31.4 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.936 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 36.9 t -87.49 122.16 38.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.395 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -103.52 -22.21 13.65 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.468 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 69.4 p -154.93 141.87 19.18 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -119.76 112.58 19.44 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.083 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.5 mt -68.3 151.84 46.32 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -120.07 179.78 4.17 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.826 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.47 -121.56 5.55 Favored Glycine 0 C--N 1.339 0.728 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.504 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -76.91 -19.02 57.91 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.696 0.284 . . . . 0.0 110.93 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -105.12 47.25 1.08 Allowed Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.947 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -66.27 -26.97 67.59 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 122.707 0.403 . . . . 0.0 111.166 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.529 HD23 ' H ' ' A' ' 59' ' ' LEU . 1.2 pt? -103.6 18.79 21.1 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.063 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -115.05 117.88 31.82 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.127 0.489 . . . . 0.0 111.194 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 33.0 m0 -110.56 178.65 4.3 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.413 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -159.83 147.94 15.8 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.331 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 175.82 -153.98 16.22 Favored Glycine 0 C--N 1.335 0.505 0 C-N-CA 121.334 -0.46 . . . . 0.0 112.52 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 87.7 p -132.34 153.5 50.68 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.396 0.141 . . . . 0.0 110.668 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.699 HG23 HD21 ' A' ' 39' ' ' LEU . 91.7 t -94.76 122.39 46.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 111.59 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -106.16 76.73 1.18 Allowed 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.07 177.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -132.9 68.84 0.54 Allowed Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.913 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 62.95 74.76 0.42 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.282 0.633 . . . . 0.0 111.732 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -120.47 102.18 8.27 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.392 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -102.68 -5.18 24.07 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.698 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.7 -117.77 3.69 Favored Glycine 0 C--N 1.336 0.536 0 C-N-CA 121.087 -0.577 . . . . 0.0 112.364 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -153.04 100.89 2.53 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.715 0.293 . . . . 0.0 110.326 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -150.73 -50.17 0.13 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.33 75.03 10.0 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.001 0.429 . . . . 0.0 110.979 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.68 -30.94 0.11 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.487 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.94 -9.75 58.46 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.888 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.9 mt 63.9 139.91 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.244 1.017 . . . . 0.0 113.473 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.496 ' HA3' ' HB2' ' A' ' 39' ' ' LEU . . . -132.64 173.38 20.9 Favored Glycine 0 C--N 1.335 0.503 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.892 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -121.7 142.35 50.25 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.86 0.362 . . . . 0.0 110.997 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -146.85 154.93 47.95 Favored Pre-proline 0 CA--C 1.542 0.671 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.16 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.401 ' O ' HG12 ' A' ' 84' ' ' ILE . 4.8 Cg_exo -74.61 138.05 23.52 Favored 'Trans proline' 0 C--N 1.367 1.521 0 C-N-CA 122.23 1.953 . . . . 0.0 111.473 179.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 90.2 p -63.87 -18.15 63.88 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.859 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.4 t -65.35 -23.33 66.96 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.458 HG13 HG13 ' A' ' 85' ' ' VAL . 25.2 pt -92.39 -6.11 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.458 HG13 HG13 ' A' ' 84' ' ' ILE . 21.4 m -127.28 163.59 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -145.51 112.36 5.97 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.321 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 25' ' ' ALA . 1.0 OUTLIER -82.85 136.56 34.59 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.744 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -127.23 -21.08 3.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.432 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -133.81 116.25 15.47 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.705 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.4 m -84.31 126.66 33.4 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.223 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.6 mt -88.2 -41.01 13.25 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.075 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.453 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 1.7 tpmt? -150.76 132.79 8.0 Favored Pre-proline 0 CA--C 1.543 0.693 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.255 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.416 ' HD2' ' HG3' ' A' ' 92' ' ' LYS . 84.3 Cg_exo -48.73 126.72 15.11 Favored 'Trans proline' 0 C--N 1.374 1.888 0 C-N-CA 123.172 2.581 . . . . 0.0 113.927 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -105.43 78.14 0.26 Allowed Glycine 0 C--N 1.333 0.374 0 N-CA-C 111.251 -0.739 . . . . 0.0 111.251 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -121.31 22.88 10.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.4 t -113.7 136.66 49.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -112.93 120.22 40.65 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.799 0.333 . . . . 0.0 110.878 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.1 t -124.27 134.16 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.057 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.458 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 95.4 mttt -73.9 154.23 39.49 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.71 -0.223 . . . . 0.0 110.638 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 64.8 p -103.23 140.65 37.09 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 52.8 p30 -98.11 -170.38 1.96 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? -79.34 -8.6 59.2 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -95.24 23.84 5.48 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.789 0.328 . . . . 0.0 111.424 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -113.14 -21.62 10.93 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.354 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.411 ' HD2' HH21 ' A' ' 37' ' ' ARG . 0.4 OUTLIER -148.61 58.92 1.07 Allowed 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.214 0.531 . . . . 0.0 111.932 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -150.15 114.49 5.18 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.574 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 93.4 m -119.18 146.37 45.24 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.741 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.273 -0.87 . . . . 0.0 111.06 -179.906 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.825 0.345 . . . . 0.0 111.346 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.06 170.43 31.92 Favored Glycine 0 C--N 1.334 0.472 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.965 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -82.78 166.11 15.31 Favored 'Trans proline' 0 C--N 1.361 1.199 0 C-N-CA 122.727 2.285 . . . . 0.0 112.258 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.613 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 1.6 pmm? -153.63 173.11 4.94 Favored Pre-proline 0 CA--C 1.546 0.821 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.317 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.613 ' HD2' ' HB2' ' A' ' 4' ' ' MET . 41.6 Cg_endo -65.72 137.23 48.95 Favored 'Trans proline' 0 C--N 1.37 1.668 0 C-N-CA 122.188 1.925 . . . . 0.0 111.64 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -66.89 129.1 38.77 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.374 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.8 mt -78.42 -29.54 47.18 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.48 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -150.17 -175.43 5.06 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.994 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -121.4 -52.17 2.05 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.07 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -123.43 161.06 25.54 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.172 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.733 ' HB3' HD23 ' A' ' 53' ' ' LEU . 38.7 pttt -141.26 177.88 7.79 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.927 -178.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.412 HD21 ' HD2' ' A' ' 54' ' ' LYS . 3.9 mm? -108.32 134.02 51.72 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.743 178.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.433 ' HA ' HD11 ' A' ' 22' ' ' ILE . 94.9 m -138.67 165.73 26.18 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 123.604 0.565 . . . . 0.0 110.438 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.431 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -79.79 -30.88 40.73 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.058 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -141.94 172.2 13.01 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.261 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -67.19 -15.37 63.66 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.392 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -89.21 -20.26 24.4 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.819 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.9 m 56.81 28.15 13.97 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 123.654 0.596 . . . . 0.0 110.199 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.1 t -96.48 -5.49 39.41 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.572 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -98.3 152.05 37.79 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.66 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.44 ' HB2' HD12 ' A' ' 91' ' ' LEU . 38.5 Cg_endo -91.65 117.64 0.48 Allowed 'Trans proline' 0 C--N 1.368 1.576 0 C-N-CA 122.755 2.303 . . . . 0.0 112.067 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.433 HD11 ' HA ' ' A' ' 13' ' ' CYS . 36.9 mt -71.01 -62.55 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 -179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.1 p -135.65 137.15 41.57 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.8 tmm? -89.59 116.02 27.42 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.05 146.33 42.27 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.142 0.496 . . . . 0.0 112.328 -178.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.7 t -99.36 137.06 27.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.206 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.34 131.88 37.19 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.225 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.0 mt -98.76 -15.32 19.36 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.63 -0.713 . . . . 0.0 112.579 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -153.37 179.71 8.52 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -89.08 151.78 22.03 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.457 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -151.57 130.39 12.44 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.823 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -105.08 133.57 49.64 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.09 112.33 44.77 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -78.66 -52.4 0.06 OUTLIER 'Trans proline' 0 C--N 1.365 1.413 0 C-N-CA 122.473 2.115 . . . . 0.0 111.774 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -90.92 162.68 14.66 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.664 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.8 t -62.7 -31.93 72.93 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.323 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -77.49 -13.48 59.91 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -91.04 157.55 17.19 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.614 0.245 . . . . 0.0 111.369 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.4 mt -113.56 143.97 43.65 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.33 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 37.5 m -94.49 112.08 23.85 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.1 mt -113.8 146.68 18.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.938 -177.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -110.96 151.84 27.48 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.009 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -64.32 120.29 11.92 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.533 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.34 -7.69 51.59 Favored Glycine 0 C--N 1.338 0.664 0 C-N-CA 120.992 -0.623 . . . . 0.0 113.994 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -79.26 151.66 31.01 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 117.426 0.613 . . . . 0.0 111.76 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.6 t -91.01 109.79 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.07 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.484 ' HA ' ' HA ' ' A' ' 65' ' ' VAL . 16.5 t -109.63 126.87 66.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 120.6 0.238 . . . . 0.0 110.583 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -93.96 128.79 40.48 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.066 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.3 t -89.01 127.94 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.729 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -107.82 -22.36 12.49 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.629 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.0 p -154.23 157.2 38.4 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -130.91 107.46 9.13 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.733 HD23 ' HB3' ' A' ' 11' ' ' LYS . 48.2 mt -67.36 157.48 33.93 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -178.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.412 ' HD2' HD21 ' A' ' 12' ' ' LEU . 29.5 mtpp -123.4 -178.51 4.02 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.804 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.29 -138.26 18.2 Favored Glycine 0 C--N 1.34 0.772 0 CA-C-N 116.059 -0.519 . . . . 0.0 113.282 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 -69.49 -26.36 64.51 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 122.59 0.356 . . . . 0.0 111.591 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -110.68 39.57 2.85 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 121.25 -0.5 . . . . 0.0 112.113 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.1 ptt-85 -69.41 -16.55 63.52 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.9 mt -84.72 9.44 13.96 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.598 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -112.24 120.97 43.58 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.132 0.491 . . . . 0.0 111.063 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 22.4 m0 -108.02 119.89 40.75 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.878 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.56 161.48 42.64 Favored Glycine 0 C--N 1.333 0.414 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.098 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 148.67 -159.34 28.0 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.86 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.9 m -154.84 153.79 31.71 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.909 0.385 . . . . 0.0 111.171 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.484 ' HA ' ' HA ' ' A' ' 47' ' ' VAL . 9.0 p -70.04 162.95 3.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.97 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -31.09 135.3 0.06 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.506 1.123 . . . . 0.0 113.187 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -78.86 69.9 2.81 Favored Glycine 0 C--N 1.338 0.67 0 CA-C-N 115.566 -0.743 . . . . 0.0 113.587 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -97.57 -15.94 20.28 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 55.62 75.91 0.3 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.368 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -94.18 -16.46 23.67 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.611 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 177.57 -72.63 0.07 OUTLIER Glycine 0 C--N 1.333 0.387 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.431 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -148.29 35.29 0.81 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.033 0.444 . . . . 0.0 111.136 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.4 mt -79.51 -73.09 0.36 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.571 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.96 62.61 1.87 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.129 0.49 . . . . 0.0 110.937 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -146.46 -43.24 0.19 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.624 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -92.9 -18.26 23.01 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.952 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.8 tp 65.94 143.59 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 O-C-N 124.387 1.054 . . . . 0.0 111.468 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -149.49 -156.61 7.28 Favored Glycine 0 C--N 1.344 0.981 0 C-N-CA 120.174 -1.012 . . . . 0.0 113.797 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -136.35 155.89 49.41 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 122.625 0.37 . . . . 0.0 110.81 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -154.51 148.23 18.74 Favored Pre-proline 0 CA--C 1.541 0.605 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.913 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.423 ' O ' HG12 ' A' ' 84' ' ' ILE . 12.5 Cg_exo -70.64 135.2 27.79 Favored 'Trans proline' 0 C--N 1.365 1.401 0 C-N-CA 122.182 1.921 . . . . 0.0 111.734 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 93.1 p -65.07 -21.21 66.79 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.447 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.2 m -66.16 -22.01 66.35 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.434 HG13 HG13 ' A' ' 85' ' ' VAL . 30.1 pt -95.4 -5.21 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.434 HG13 HG13 ' A' ' 84' ' ' ILE . 24.4 m -122.41 163.55 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 111.539 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -137.63 114.61 10.72 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.218 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -69.71 130.13 41.5 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.062 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -127.11 -34.3 2.34 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.548 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.78 127.66 18.3 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 55.9 m -89.0 124.83 34.64 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.44 HD12 ' HB2' ' A' ' 21' ' ' PRO . 40.4 mt -87.29 -39.62 15.22 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.485 -178.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -152.81 125.06 3.88 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.58 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -49.37 130.13 24.39 Favored 'Trans proline' 0 C--N 1.37 1.665 0 C-N-CA 123.173 2.582 . . . . 0.0 114.306 -178.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.431 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -109.39 86.33 0.44 Allowed Glycine 0 C--N 1.334 0.447 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -126.24 30.81 5.53 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.6 t -122.74 109.66 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.87 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -75.03 120.38 20.48 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.65 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.7 131.47 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.867 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -78.51 164.02 25.07 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.675 -0.238 . . . . 0.0 110.993 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 66.9 p -97.86 152.14 19.5 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.778 0.323 . . . . 0.0 111.331 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -113.0 -170.65 1.71 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.232 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.87 2.57 41.98 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -106.78 18.04 22.39 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.763 0.316 . . . . 0.0 110.649 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -102.66 -34.64 8.99 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.916 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -144.44 61.25 1.34 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.39 0.614 . . . . 0.0 111.221 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -150.77 95.02 2.16 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.533 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 66.8 m -98.42 91.53 5.24 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.518 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.623 -179.819 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.433 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 66.0 mtt . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.972 0.415 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -156.98 171.51 34.44 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 120.942 -0.647 . . . . 0.0 113.019 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -81.84 118.21 3.06 Favored 'Trans proline' 0 C--N 1.363 1.327 0 C-N-CA 122.792 2.328 . . . . 0.0 111.832 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.552 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 31.0 mtm -127.61 167.89 16.81 Favored Pre-proline 0 CA--C 1.543 0.678 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.288 -178.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.552 ' HD2' ' HB3' ' A' ' 4' ' ' MET . 73.5 Cg_endo -73.58 -176.16 2.4 Favored 'Trans proline' 0 C--N 1.376 1.994 0 C-N-CA 122.275 1.983 . . . . 0.0 112.337 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -90.13 131.23 36.09 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.8 mt -90.26 -29.78 17.94 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.515 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.26 -174.6 4.63 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.35 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -127.52 -46.71 1.45 Allowed 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.408 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 9.3 mpt_? -129.19 155.03 46.18 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.803 0.335 . . . . 0.0 110.933 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.5 pttt -138.3 167.36 22.03 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.083 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -101.59 127.94 48.08 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 70.9 m -130.59 171.28 13.22 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.776 0.672 . . . . 0.0 110.707 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.473 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -78.21 -29.98 48.62 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.542 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -153.1 178.48 9.67 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.093 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -62.24 -22.4 65.94 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.279 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -88.68 -22.01 23.63 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.813 -0.176 . . . . 0.0 111.246 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.0 t 54.58 32.71 17.56 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.743 0.782 . . . . 0.0 109.859 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.0 t -100.64 2.8 41.97 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.275 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -106.37 152.22 40.5 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.61 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.472 ' HB2' HD12 ' A' ' 91' ' ' LEU . 40.7 Cg_endo -91.3 122.82 0.76 Allowed 'Trans proline' 0 C--N 1.368 1.562 0 C-N-CA 122.809 2.339 . . . . 0.0 112.067 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.506 HD13 ' HZ2' ' A' ' 52' ' ' LYS . 36.7 mt -71.21 -65.32 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.549 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.1 t -134.55 140.18 45.95 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.051 0.453 . . . . 0.0 112.158 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.3 ttp -89.79 114.94 26.74 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.127 -0.942 . . . . 0.0 108.936 178.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.72 141.5 48.32 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.6 t -97.76 136.14 29.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.129 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.07 134.85 46.06 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.982 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.6 mt -97.62 -21.47 17.03 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.47 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -149.81 -179.45 7.14 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -87.2 150.69 23.75 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.485 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -151.85 137.15 17.55 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.653 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -112.77 139.15 48.63 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.28 107.81 37.8 Favored Pre-proline 0 CA--C 1.537 0.462 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -85.68 -42.04 0.06 OUTLIER 'Trans proline' 0 C--N 1.362 1.24 0 C-N-CA 122.385 2.056 . . . . 0.0 112.946 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -91.3 163.32 14.27 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.103 0.561 . . . . 0.0 111.486 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.2 t -60.68 -46.55 89.94 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.425 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -74.59 1.4 12.19 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -101.45 148.64 24.94 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 117.993 0.36 . . . . 0.0 110.968 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.38 142.73 46.3 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.018 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 66.7 m -88.77 125.12 34.74 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 75.7 mt -128.22 138.71 53.89 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.541 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -104.32 156.81 17.6 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.806 178.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.9 ttp85 -63.32 115.65 4.76 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.549 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.89 3.15 49.16 Favored Glycine 0 C--N 1.34 0.756 0 CA-C-O 119.473 -0.626 . . . . 0.0 114.363 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -78.86 140.46 38.15 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 117.903 0.851 . . . . 0.0 111.689 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.7 t -83.1 100.9 7.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.0 t -105.15 124.99 60.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 111.485 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -91.47 124.76 35.89 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.276 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.8 t -87.47 134.12 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -113.53 -28.08 7.65 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 57.1 p -153.47 158.44 41.36 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.506 ' HZ2' HD13 ' A' ' 22' ' ' ILE . 18.1 mttp -127.91 113.03 15.36 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.063 178.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.6 mt -69.22 151.97 45.65 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -113.79 -177.54 3.16 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.923 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.59 -132.96 11.68 Favored Glycine 0 C--N 1.34 0.772 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.586 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -72.66 -20.82 61.19 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.639 0.256 . . . . 0.0 110.814 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -105.47 46.91 1.11 Allowed Glycine 0 C--N 1.335 0.522 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.971 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -68.53 -26.69 65.56 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 122.499 0.32 . . . . 0.0 110.665 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 mp -89.58 -5.53 57.11 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.787 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -95.01 121.85 37.05 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.246 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 30.4 m0 -109.94 -172.9 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.29 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.466 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -160.57 158.1 29.56 Favored Glycine 0 C--N 1.336 0.528 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.371 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 166.6 -159.33 32.63 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 121.415 -0.421 . . . . 0.0 112.221 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 97.7 p -130.43 144.31 51.32 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.562 0.22 . . . . 0.0 110.692 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.5 p -89.17 133.0 32.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 CA-C-O 121.16 0.505 . . . . 0.0 111.333 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -104.34 -14.02 15.92 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.942 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -54.8 -42.09 77.68 Favored Glycine 0 C--N 1.339 0.729 0 CA-C-N 116.186 -0.461 . . . . 0.0 113.576 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -127.65 133.73 49.64 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.697 0.284 . . . . 0.0 111.331 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -151.49 104.86 3.11 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.993 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -108.93 -9.04 15.15 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.298 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 137.42 112.6 1.14 Allowed Glycine 0 C--N 1.333 0.416 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.335 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.8 t70 56.35 80.23 0.15 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.449 0.7 . . . . 0.0 111.17 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -139.63 -50.98 0.51 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.847 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.34 59.77 2.61 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.94 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -139.25 -22.96 0.91 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.427 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -106.34 3.88 27.99 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.685 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.0 mt 58.75 178.42 0.07 Allowed 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -174.56 130.32 1.76 Allowed Glycine 0 C--N 1.336 0.531 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.579 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.466 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 72.3 m-85 -85.53 148.1 26.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.993 0.425 . . . . 0.0 111.379 -178.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -151.6 155.74 34.28 Favored Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.887 -178.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -74.68 134.86 18.93 Favored 'Trans proline' 0 C--N 1.367 1.535 0 C-N-CA 122.201 1.934 . . . . 0.0 111.671 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 90.5 p -64.93 -17.52 64.43 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.864 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.9 t -66.31 -19.71 65.89 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 25.7 pt -97.25 -1.98 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.7 m -117.88 163.22 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-O 121.121 0.486 . . . . 0.0 112.162 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 64.4 ttt-85 -131.04 108.66 9.94 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.766 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -74.99 125.81 29.7 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.282 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -120.47 -34.08 3.71 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.493 ' NE2' HD23 ' A' ' 91' ' ' LEU . 1.1 tt0 -146.45 138.53 24.92 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.1 m -94.23 122.15 36.47 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.493 HD23 ' NE2' ' A' ' 89' ' ' GLN . 13.7 mt -84.87 -30.52 24.38 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.341 -178.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -161.38 125.98 2.08 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.583 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -51.21 144.17 30.69 Favored 'Trans proline' 0 C--N 1.374 1.889 0 C-N-CA 122.808 2.339 . . . . 0.0 114.023 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -122.42 83.83 0.36 Allowed Glycine 0 C--N 1.337 0.614 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.72 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.22 15.05 14.02 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.783 0.325 . . . . 0.0 110.807 -178.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.8 t -114.8 101.57 12.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.212 -178.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -76.07 125.84 29.88 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.595 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 23.1 t -125.0 132.31 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.977 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.408 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -73.54 169.12 17.9 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.955 179.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 72.9 p -98.78 154.82 17.71 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.416 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -109.9 -170.84 1.72 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.802 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.407 ' HB2' ' NZ ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -79.29 -21.41 46.04 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.38 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -81.24 -3.19 51.59 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.088 0.242 . . . . 0.0 111.652 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.69 -14.55 37.07 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.292 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -115.37 -34.97 4.77 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.302 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -89.52 118.43 29.16 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.549 -178.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.433 ' SG ' ' HA ' ' A' ' 1' ' ' MET . 5.7 p -131.23 147.67 52.62 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.99 179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.751 179.838 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 121.102 0.477 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.06 172.29 17.15 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.476 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.12 135.07 18.38 Favored 'Trans proline' 0 C--N 1.363 1.3 0 C-N-CA 122.548 2.166 . . . . 0.0 111.95 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.5 ppp? -149.54 163.23 25.84 Favored Pre-proline 0 CA--C 1.548 0.887 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.09 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -51.51 159.95 2.87 Favored 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 123.362 2.708 . . . . 0.0 114.191 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -75.83 153.92 36.52 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.616 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.639 HD11 HH21 ' A' ' 37' ' ' ARG . 68.7 mt -115.92 -35.59 4.4 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.647 178.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.79 -173.43 4.1 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.598 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -131.6 -44.28 1.0 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.487 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.8 mtt85 -129.8 158.17 40.18 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.078 0.466 . . . . 0.0 111.423 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.581 ' HB3' HD23 ' A' ' 53' ' ' LEU . 41.9 pttt -132.29 174.96 9.69 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.029 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.7 mt -119.9 120.71 37.21 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.57 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 62.9 m -122.17 -179.83 4.3 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.576 0.547 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.45 ' HB1' ' HG2' ' A' ' 92' ' ' LYS . . . -80.25 -27.83 38.59 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.558 179.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -149.27 173.83 13.06 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.466 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -65.91 -13.19 59.25 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -89.83 -21.4 22.6 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.2 m 57.15 31.32 19.8 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 121.637 0.732 . . . . 0.0 109.767 -177.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.9 t -100.44 -10.82 20.74 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.863 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -98.17 149.67 35.97 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.893 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -91.35 120.16 0.61 Allowed 'Trans proline' 0 C--N 1.368 1.555 0 C-N-CA 122.891 2.394 . . . . 0.0 111.625 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.5 mt -64.94 -64.96 0.61 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.159 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.546 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 61.2 p -138.04 141.43 40.36 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.482 ' HB2' HD11 ' A' ' 91' ' ' LEU . 15.2 tmm? -89.76 122.45 32.85 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.184 -0.916 . . . . 0.0 108.835 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.419 ' HB2' ' HG3' ' A' ' 87' ' ' GLU . . . -123.27 155.0 38.06 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.3 t -103.98 134.43 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.285 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.86 133.87 36.28 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.515 HD21 ' HB2' ' A' ' 86' ' ' ARG . 3.4 mm? -93.41 -21.54 19.46 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -179.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -152.93 -178.71 7.08 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.12 155.35 19.11 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.542 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -151.07 140.28 21.25 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.857 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.5 mmt -110.75 137.15 48.78 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.174 0.297 . . . . 0.0 110.455 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.26 111.5 34.22 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.92 -59.09 0.03 OUTLIER 'Trans proline' 0 C--N 1.364 1.385 0 C-N-CA 122.56 2.173 . . . . 0.0 112.123 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -91.43 170.62 9.81 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.022 0.439 . . . . 0.0 112.046 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.6 p -62.08 -25.83 67.93 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.639 HH21 HD11 ' A' ' 7' ' ' LEU . 15.8 mtm-85 -90.76 3.21 54.97 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -177.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -105.5 163.93 12.27 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.717 0.69 . . . . 0.0 112.737 -178.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.3 mt -115.03 151.58 33.97 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.59 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.3 m -103.96 109.58 21.39 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 57.8 mt -111.44 151.81 13.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.12 -177.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -115.98 152.53 33.31 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.885 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -63.06 124.55 21.43 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.648 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.69 -11.08 62.83 Favored Glycine 0 C--N 1.338 0.678 0 C-N-CA 120.942 -0.647 . . . . 0.0 114.013 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -74.22 154.17 39.13 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.428 0.614 . . . . 0.0 111.665 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 t -92.09 115.78 31.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.883 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.408 HG22 HG23 ' A' ' 65' ' ' VAL . 14.9 t -113.4 124.16 69.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-O 120.641 0.258 . . . . 0.0 110.843 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -95.29 126.62 40.72 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.883 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.5 t -87.79 129.95 38.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.86 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.419 ' HB2' ' HA2' ' A' ' 63' ' ' GLY . 19.1 m-85 -111.24 -28.59 8.19 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.31 0.381 . . . . 0.0 111.789 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.4 p -148.66 163.75 36.37 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -133.32 109.72 9.56 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.581 HD23 ' HB3' ' A' ' 11' ' ' LYS . 47.3 mt -67.76 152.67 45.21 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.517 0.199 . . . . 0.0 111.361 -178.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -122.79 178.52 4.99 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.05 -133.54 11.58 Favored Glycine 0 C--N 1.337 0.603 0 C-N-CA 121.182 -0.532 . . . . 0.0 112.741 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -35.56 62.91 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.618 0.247 . . . . 0.0 110.917 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -105.37 48.18 1.0 Allowed Glycine 0 C--N 1.335 0.505 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.936 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.2 ptt-85 -71.5 -8.41 53.76 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.622 HD23 ' H ' ' A' ' 59' ' ' LEU . 1.2 pt? -88.18 0.45 56.04 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.619 0.247 . . . . 0.0 110.795 179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -102.69 122.28 44.13 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.645 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 36.2 m0 -111.07 134.48 52.64 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -91.74 166.53 30.25 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.403 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.419 ' HA2' ' HB2' ' A' ' 50' ' ' PHE . . . 152.31 -167.74 31.36 Favored Glycine 0 C--N 1.333 0.377 0 N-CA-C 111.975 -0.45 . . . . 0.0 111.975 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.7 p -126.43 156.59 40.37 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.594 0.235 . . . . 0.0 111.039 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.408 HG23 HG22 ' A' ' 47' ' ' VAL . 5.1 p -104.43 128.67 57.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.106 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -99.93 143.5 30.07 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.679 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.88 -42.12 0.18 Allowed Glycine 0 C--N 1.332 0.357 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -131.31 70.89 1.46 Allowed 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -71.99 89.29 1.1 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.768 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -121.9 -9.54 8.77 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.332 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.43 61.37 1.47 Allowed Glycine 0 C--N 1.337 0.587 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.613 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -152.69 -43.31 0.1 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 111.461 0.171 . . . . 0.0 111.461 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.517 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.6 pt? -89.33 -26.36 21.14 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.718 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -101.04 30.73 3.94 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.976 0.417 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -96.19 -41.66 8.58 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.179 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.0 ppt_? -121.74 1.85 10.0 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.869 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 40.56 -157.63 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.953 1.301 . . . . 0.0 113.714 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -172.22 -159.33 18.41 Favored Glycine 0 C--N 1.345 1.028 0 C-N-CA 121.058 -0.591 . . . . 0.0 112.561 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -122.44 157.1 32.68 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 122.436 0.294 . . . . 0.0 110.619 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -155.95 151.51 21.9 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.931 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -72.39 132.24 18.88 Favored 'Trans proline' 0 C--N 1.367 1.547 0 C-N-CA 122.255 1.97 . . . . 0.0 111.614 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 92.1 p -63.78 -23.19 67.26 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.404 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.2 p -65.88 -23.16 66.59 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.5 pt -95.35 -1.33 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.8 m -120.64 140.81 43.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 121.043 0.449 . . . . 0.0 111.987 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.515 ' HB2' HD21 ' A' ' 28' ' ' LEU . 79.3 ttt180 -112.22 112.39 23.96 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.011 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.419 ' HG3' ' HB2' ' A' ' 25' ' ' ALA . 37.2 mp0 -88.64 116.73 27.1 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.822 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -115.09 -27.98 7.14 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.562 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.633 HE22 HD23 ' A' ' 91' ' ' LEU . 0.9 OUTLIER -135.25 140.46 45.24 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -179.37 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.2 m -106.72 124.55 49.78 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.442 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.633 HD23 HE22 ' A' ' 89' ' ' GLN . 9.5 mt -86.48 -32.51 20.75 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.45 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -154.74 132.85 6.72 Favored Pre-proline 0 CA--C 1.542 0.659 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.075 -179.545 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 92' ' ' LYS . 50.6 Cg_exo -61.27 128.88 26.37 Favored 'Trans proline' 0 C--N 1.365 1.419 0 C-N-CA 123.012 2.474 . . . . 0.0 113.707 -179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.444 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -101.7 89.92 0.8 Allowed Glycine 0 C--N 1.335 0.497 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -129.9 28.95 5.03 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 44.5 t -121.27 143.79 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.896 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -111.0 119.02 37.67 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.669 0.271 . . . . 0.0 111.5 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 12.6 t -127.47 135.14 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.11 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -81.07 160.82 24.4 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.569 0.223 . . . . 0.0 111.257 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 81.7 p -94.39 161.99 14.01 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.044 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -98.74 -179.61 4.35 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.726 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.29 -21.09 36.31 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.362 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -80.21 -10.86 59.77 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.988 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -79.93 -14.51 58.55 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.05 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -116.71 -36.06 4.01 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.971 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -89.58 112.09 23.2 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.274 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 2.0 p -124.54 74.06 1.3 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.783 0.801 . . . . 0.0 111.3 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 . . . . . 0 C--O 1.248 1.015 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.417 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.4 mtm . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.583 0.23 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.418 ' HA2' ' HG3' ' A' ' 108' ' ' GLN . . . 140.5 170.67 12.15 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 120.999 -0.62 . . . . 0.0 113.35 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -84.54 136.88 6.58 Favored 'Trans proline' 0 C--N 1.363 1.299 0 C-N-CA 122.875 2.383 . . . . 0.0 112.557 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -151.96 159.63 32.73 Favored Pre-proline 0 CA--C 1.543 0.691 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.655 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -47.42 142.38 12.97 Favored 'Trans proline' 0 C--N 1.377 2.062 0 C-N-CA 123.082 2.521 . . . . 0.0 113.922 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -83.44 166.92 17.95 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.428 -179.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 47.3 mt -93.99 -40.95 9.83 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.39 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.28 -171.53 3.86 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.949 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -119.33 -32.37 4.39 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.597 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.615 ' HG2' ' HG3' ' A' ' 99' ' ' LYS . 98.9 mtt180 -129.21 157.98 40.31 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.972 0.415 . . . . 0.0 111.259 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.668 ' HB3' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -146.45 152.17 38.6 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.593 -179.615 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -91.66 144.86 25.09 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.489 ' HA ' HD11 ' A' ' 22' ' ' ILE . 75.5 m -141.25 166.29 25.17 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.987 0.804 . . . . 0.0 110.228 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.82 -35.21 60.07 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.871 0.367 . . . . 0.0 110.227 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.8 p-10 -131.05 169.44 15.85 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.428 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -69.16 -13.95 62.71 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.938 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -90.58 -15.87 29.79 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.602 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 75.5 m 57.55 28.15 15.16 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.469 0.652 . . . . 0.0 110.349 -178.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.2 t -102.84 6.59 39.29 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.75 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -112.63 150.02 42.06 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.1 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -90.23 116.81 0.62 Allowed 'Trans proline' 0 C--N 1.367 1.537 0 C-N-CA 122.884 2.39 . . . . 0.0 111.996 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.489 HD11 ' HA ' ' A' ' 13' ' ' CYS . 55.8 mt -64.11 -68.41 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.986 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 p -131.94 152.67 50.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.29 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.432 ' HB3' ' NE2' ' A' ' 89' ' ' GLN . 15.1 tmm? -107.82 123.07 48.02 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.717 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.452 ' HB2' ' CD ' ' A' ' 87' ' ' GLU . . . -123.49 148.66 46.01 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -178.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.5 t -99.61 133.49 42.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.837 178.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.27 135.68 46.07 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.743 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.447 HD11 ' HB2' ' A' ' 86' ' ' ARG . 69.6 mt -97.32 -19.11 18.74 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.464 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -149.25 -176.04 5.22 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -90.49 150.83 21.63 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.329 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -151.38 136.9 17.79 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.527 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.404 ' HA ' HG23 ' A' ' 40' ' ' THR . 26.5 mmt -112.32 141.93 45.44 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.282 178.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.01 108.98 29.63 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -78.01 -51.81 0.07 OUTLIER 'Trans proline' 0 C--N 1.368 1.576 0 C-N-CA 122.706 2.271 . . . . 0.0 112.38 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -90.25 164.71 14.28 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.442 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.1 p -64.24 -25.78 68.21 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.4 ptt85 -92.57 5.78 49.65 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -98.6 162.29 13.21 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 117.787 0.267 . . . . 0.0 110.752 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.455 HD22 HG12 ' A' ' 65' ' ' VAL . 34.0 mt -116.69 136.21 53.15 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.404 HG23 ' HA ' ' A' ' 32' ' ' MET . 51.1 m -90.33 111.32 22.49 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.6 mt -114.48 151.24 16.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.441 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -116.19 154.98 29.1 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.202 178.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -64.18 116.75 6.27 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.548 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.81 -0.06 52.19 Favored Glycine 0 C--N 1.339 0.703 0 C-N-CA 121.089 -0.576 . . . . 0.0 114.173 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -83.12 152.15 25.43 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 117.519 0.66 . . . . 0.0 111.848 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.2 t -88.32 114.71 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.96 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.626 HG22 HG23 ' A' ' 65' ' ' VAL . 6.8 t -116.22 133.47 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 120.677 0.275 . . . . 0.0 111.082 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -102.76 130.25 49.67 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.801 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.8 t -94.5 125.79 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.213 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -107.87 -29.87 8.82 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.6 p -145.43 143.56 30.12 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.594 0.591 . . . . 0.0 112.594 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -119.39 110.08 16.53 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.137 178.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.668 HD23 ' HB3' ' A' ' 11' ' ' LYS . 20.8 mt -71.13 151.96 43.92 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -178.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -115.4 -133.48 0.34 Allowed 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.876 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.78 -136.35 38.45 Favored Glycine 0 C--N 1.35 1.322 0 C-N-CA 121.529 -0.367 . . . . 0.0 113.32 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -86.87 -0.7 56.93 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.618 0.246 . . . . 0.0 110.705 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -132.77 60.79 0.66 Allowed Glycine 0 C--N 1.335 0.498 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.035 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.448 ' NE ' ' H ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -71.91 -6.22 40.28 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.122 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.3 pp -96.84 1.36 50.55 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.573 0.225 . . . . 0.0 110.93 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -96.81 122.08 39.38 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.055 0.455 . . . . 0.0 110.794 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 35.4 m0 -110.95 -178.9 3.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.619 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -163.49 163.58 35.72 Favored Glycine 0 C--N 1.333 0.415 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.21 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 161.63 -142.56 8.12 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 121.104 -0.57 . . . . 0.0 112.249 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.2 p -132.95 133.04 42.67 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.567 0.223 . . . . 0.0 110.635 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.626 HG23 HG22 ' A' ' 47' ' ' VAL . 6.5 p -92.33 127.41 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-O 121.209 0.528 . . . . 0.0 111.553 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -100.96 149.43 23.92 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.472 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.31 -15.06 0.19 Allowed Glycine 0 C--N 1.334 0.434 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.341 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -134.52 -45.61 0.75 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.906 0.384 . . . . 0.0 110.404 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.9 t80 55.88 84.38 0.08 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.986 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -125.08 -11.07 7.09 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.815 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.29 14.29 59.0 Favored Glycine 0 C--N 1.334 0.43 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.62 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -122.93 -16.39 7.09 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 122.144 0.178 . . . . 0.0 111.147 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.459 ' N ' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -114.81 -5.57 12.63 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.899 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -135.49 33.22 3.02 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.964 0.411 . . . . 0.0 111.413 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -140.25 -0.42 1.63 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.605 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -108.35 -19.3 13.51 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 71.8 mt 56.93 104.22 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.881 0 O-C-N 124.388 1.055 . . . . 0.0 112.472 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.435 ' HA3' ' HG ' ' A' ' 39' ' ' LEU . . . -110.12 -161.4 18.49 Favored Glycine 0 C--N 1.334 0.423 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.104 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.432 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 54.9 m-85 -132.76 156.78 46.44 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 120.87 0.367 . . . . 0.0 111.123 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -156.05 150.4 19.97 Favored Pre-proline 0 CA--C 1.541 0.619 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.724 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -74.38 137.03 22.65 Favored 'Trans proline' 0 C--N 1.367 1.509 0 C-N-CA 122.388 2.059 . . . . 0.0 111.998 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 97.4 p -65.32 -20.69 66.52 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.341 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.5 t -65.78 -22.85 66.61 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.0 pt -96.67 -2.76 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.1 m -115.66 152.02 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.988 0.423 . . . . 0.0 111.888 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.447 ' HB2' HD11 ' A' ' 28' ' ' LEU . 60.1 ttt180 -124.22 110.72 15.01 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.511 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.452 ' CD ' ' HB2' ' A' ' 25' ' ' ALA . 57.9 mm-40 -75.18 128.64 35.94 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.9 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.59 -38.11 5.28 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.853 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.432 ' NE2' ' HB3' ' A' ' 24' ' ' MET . 0.4 OUTLIER -149.83 170.01 19.76 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -179.582 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.1 m -123.63 131.59 53.65 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.251 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.7 mt -88.4 -44.14 10.97 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.946 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.419 ' HE2' ' HB3' ' A' ' 92' ' ' LYS . 17.3 mtpt -144.38 135.74 12.65 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.817 178.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -61.5 128.61 25.29 Favored 'Trans proline' 0 C--N 1.366 1.492 0 C-N-CA 122.991 2.461 . . . . 0.0 113.334 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -96.8 88.44 0.99 Allowed Glycine 0 C--N 1.334 0.468 0 N-CA-C 111.434 -0.667 . . . . 0.0 111.434 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -128.66 19.0 6.21 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.6 t -107.57 108.81 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -80.43 111.43 16.83 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.153 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 32.1 t -122.95 133.1 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.019 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.615 ' HG3' ' HG2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -79.34 157.73 27.61 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.173 179.789 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 71.0 p -91.98 155.27 18.25 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -106.42 -175.45 2.8 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.736 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -68.87 -35.21 76.63 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.103 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -87.88 45.72 1.31 Allowed 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.032 0.444 . . . . 0.0 112.046 -178.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -124.85 -29.68 3.36 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.508 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -122.11 38.22 4.18 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.264 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -137.71 123.42 19.89 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.856 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 56.5 m -121.93 30.81 6.47 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.418 ' HG3' ' HA2' ' A' ' 2' ' ' GLY . 79.5 mt-30 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.235 -0.888 . . . . 0.0 111.009 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.7 ttm . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.74 0.305 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.4 176.82 16.01 Favored Glycine 0 CA--C 1.523 0.553 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.709 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -82.4 130.04 6.05 Favored 'Trans proline' 0 C--N 1.362 1.249 0 C-N-CA 122.577 2.184 . . . . 0.0 112.193 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.1 ptm -145.42 157.45 52.51 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.75 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.66 168.93 3.64 Favored 'Trans proline' 0 C--N 1.374 1.891 0 C-N-CA 122.792 2.328 . . . . 0.0 113.651 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -72.46 155.17 40.39 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.829 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.1 tp -109.04 -20.51 13.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.162 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -154.06 170.55 20.86 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.53 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -99.26 -61.22 1.4 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.384 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' A' ' 99' ' ' LYS . 99.8 mtt180 -125.37 164.25 20.81 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.24 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.7 pttt -143.85 166.38 25.09 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.674 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' A' ' 51' ' ' SER . 3.7 mm? -98.07 129.07 44.92 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.767 178.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 78.6 m -133.01 171.9 13.35 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.841 0.713 . . . . 0.0 110.64 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.521 ' HB1' ' HG2' ' A' ' 92' ' ' LYS . . . -81.23 -33.59 32.76 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.438 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -139.8 173.97 10.99 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.825 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -66.13 -17.14 64.52 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.666 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -89.51 -19.28 25.24 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 91.0 m 58.34 26.71 14.36 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.428 0.632 . . . . 0.0 109.797 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.2 t -95.91 -12.92 24.38 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.626 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -95.33 150.55 37.74 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.773 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -90.88 124.35 0.95 Allowed 'Trans proline' 0 C--N 1.367 1.52 0 C-N-CA 122.897 2.398 . . . . 0.0 111.954 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.2 mt -66.97 -62.56 1.19 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.003 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.1 t -141.92 144.41 33.76 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.997 0.427 . . . . 0.0 111.814 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.465 ' HB2' HD11 ' A' ' 91' ' ' LEU . 15.5 tmm? -89.18 114.93 26.28 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.21 147.36 39.07 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -178.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.9 t -97.13 139.35 19.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.136 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.44 138.24 34.45 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.235 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 86' ' ' ARG . 6.1 mp -99.7 -39.08 8.43 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -179.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.447 ' HA ' ' HB3' ' A' ' 43' ' ' ARG . 1.5 pt20 -138.55 168.14 20.42 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -71.8 153.56 41.86 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.349 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -151.58 125.73 9.27 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.169 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -101.6 131.31 47.87 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.164 0.29 . . . . 0.0 110.237 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . . . -105.63 124.31 36.62 Favored Pre-proline 0 CA--C 1.533 0.327 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 3.8 Cg_exo -78.14 -61.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.366 1.458 0 C-N-CA 122.694 2.263 . . . . 0.0 112.09 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -91.31 165.62 13.34 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.472 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.0 t -64.22 -22.82 67.08 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.318 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -61.42 -24.39 66.49 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.988 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -109.59 166.88 10.56 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.609 0.242 . . . . 0.0 111.222 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.434 ' HG ' ' HA3' ' A' ' 78' ' ' GLY . 28.1 mt -116.62 136.43 52.98 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.151 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 53.2 m -88.78 108.23 19.39 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.4 mt -110.24 139.05 35.35 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -176.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 54.9 m170 -103.99 137.17 42.35 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 177.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.447 ' HB3' ' HA ' ' A' ' 29' ' ' GLN . 9.4 ptm180 -60.56 132.37 53.68 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.143 0.497 . . . . 0.0 112.161 -178.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.55 -14.33 59.28 Favored Glycine 0 C--N 1.336 0.574 0 CA-C-N 115.418 -0.81 . . . . 0.0 113.158 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -78.28 166.16 23.03 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.019 0.438 . . . . 0.0 111.854 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 t -96.99 121.16 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.963 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.1 t -119.81 121.79 67.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 O-C-N 123.125 0.266 . . . . 0.0 110.354 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -92.25 125.95 37.13 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.809 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.3 t -87.91 129.15 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.067 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -112.27 -33.81 6.1 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.457 ' HA ' ' O ' ' A' ' 12' ' ' LEU . 71.0 p -147.05 150.01 34.22 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -178.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -119.22 115.71 24.77 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.364 -0.835 . . . . 0.0 108.763 177.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.4 mt -66.83 148.46 51.9 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -116.51 -27.47 6.73 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.522 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -67.9 -111.12 0.02 OUTLIER Glycine 0 C--N 1.339 0.734 0 N-CA-C 113.954 0.341 . . . . 0.0 113.954 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -86.94 12.2 11.74 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.777 0.322 . . . . 0.0 110.928 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -124.4 58.96 0.64 Allowed Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.058 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -55.5 -53.19 59.48 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.057 0.456 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.3 mt -97.99 18.14 16.67 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.076 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -111.26 124.59 52.53 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.37 0.605 . . . . 0.0 111.353 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 45.2 m0 -109.46 -171.37 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.091 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -163.15 163.3 35.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.395 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 164.8 -144.09 9.06 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 112.121 -0.392 . . . . 0.0 112.121 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.1 m -140.78 142.01 34.74 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.692 0.282 . . . . 0.0 110.407 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 43.5 t -90.5 131.74 36.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.321 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -129.85 96.64 4.27 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.437 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -126.46 -36.53 0.52 Allowed Glycine 0 C--N 1.334 0.436 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.153 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -148.0 -22.41 0.35 Allowed 'General case' 0 C--O 1.235 0.337 0 O-C-N 123.719 0.305 . . . . 0.0 110.18 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.2 t80 76.92 -45.74 0.49 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.005 1.322 . . . . 0.0 113.021 178.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 57.72 16.51 3.53 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.392 0.677 . . . . 0.0 112.314 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.34 -42.35 2.36 Favored Glycine 0 C--N 1.337 0.6 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.235 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -140.94 110.14 6.22 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 122.492 0.317 . . . . 0.0 110.605 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.8 tp -155.49 -46.02 0.08 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.272 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.84 23.52 7.03 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.128 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.81 -46.44 36.75 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.922 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.94 154.58 21.96 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.832 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.76 133.39 34.72 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.231 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.434 ' HA3' ' HG ' ' A' ' 39' ' ' LEU . . . -128.19 179.62 16.43 Favored Glycine 0 C--N 1.337 0.62 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.027 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -126.35 157.42 38.51 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.891 0.346 . . . . 0.0 111.092 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -154.6 153.96 28.59 Favored Pre-proline 0 CA--C 1.542 0.657 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.236 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo -72.36 137.2 27.84 Favored 'Trans proline' 0 C--N 1.369 1.626 0 C-N-CA 122.397 2.065 . . . . 0.0 112.092 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 93.7 p -64.69 -23.4 67.24 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.674 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.4 m -65.62 -18.63 65.46 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.9 pt -101.97 0.98 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.9 m -122.84 155.5 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-O 120.813 0.339 . . . . 0.0 111.565 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.487 ' HB2' HD11 ' A' ' 28' ' ' LEU . 53.0 ttt85 -133.64 108.42 8.55 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.474 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -67.97 124.12 22.51 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.394 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -111.03 -47.24 3.23 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.584 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.539 HE22 HD23 ' A' ' 91' ' ' LEU . 1.2 tm0? -138.78 129.11 25.73 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.2 m -83.79 122.01 28.09 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.698 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.539 HD23 HE22 ' A' ' 89' ' ' GLN . 10.5 mt -86.05 -29.75 23.17 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.169 -178.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.521 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -155.54 132.78 6.38 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.031 -179.688 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -60.46 125.97 18.77 Favored 'Trans proline' 0 C--N 1.366 1.472 0 C-N-CA 123.075 2.517 . . . . 0.0 113.684 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.435 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -97.58 93.3 1.4 Allowed Glycine 0 C--N 1.335 0.481 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.246 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -137.61 29.09 2.66 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -178.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.7 t -124.03 115.06 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.149 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -85.36 116.72 23.85 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.457 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 16.7 t -128.62 137.98 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.107 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 2.9 pptp? -78.38 168.17 20.22 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.88 -0.145 . . . . 0.0 111.205 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 76.5 p -91.55 146.52 23.72 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.838 0.352 . . . . 0.0 111.304 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -101.59 -174.92 2.71 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.478 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.57 -16.1 52.7 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -81.0 -8.88 59.88 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.728 0.299 . . . . 0.0 110.813 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -80.55 -22.19 41.05 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.598 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -126.85 35.05 4.67 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.78 0.324 . . . . 0.0 110.879 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -137.6 107.27 6.21 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.406 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 86.5 m -113.36 34.42 4.53 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.137 -179.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.627 179.896 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.64 0.257 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 120.88 174.34 14.99 Favored Glycine 0 CA--C 1.524 0.649 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.698 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -77.25 142.55 21.53 Favored 'Trans proline' 0 C--N 1.362 1.256 0 C-N-CA 122.567 2.178 . . . . 0.0 112.514 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 13.0 ptm -154.67 163.76 23.21 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.439 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -45.36 143.73 5.24 Favored 'Trans proline' 0 C--N 1.381 2.246 0 C-N-CA 122.813 2.342 . . . . 0.0 113.568 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 7' ' ' LEU . 28.9 mtpp -78.39 -12.43 60.0 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.594 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.47 HD23 ' CZ ' ' A' ' 37' ' ' ARG . 4.0 mm? 76.42 -48.32 0.56 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.225 1.01 . . . . 0.0 110.943 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.85 -160.16 1.09 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.041 0.536 . . . . 0.0 110.074 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -125.91 -38.86 2.15 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 120.448 0.166 . . . . 0.0 111.134 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.428 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 8.0 mpt_? -122.52 162.17 22.26 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.761 0.315 . . . . 0.0 111.264 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.498 ' HB3' HD23 ' A' ' 53' ' ' LEU . 18.4 pttp -132.15 168.49 17.92 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.329 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 51' ' ' SER . 73.6 mt -115.94 131.73 56.85 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.333 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 71.7 m -132.98 168.66 18.07 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 123.504 0.502 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.45 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -76.15 -37.1 58.38 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.088 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.423 ' HA ' HG21 ' A' ' 96' ' ' VAL . 1.5 p30 -139.6 174.01 10.95 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.818 178.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -67.56 -9.86 46.54 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -179.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -91.45 -21.33 20.99 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 111.49 0.181 . . . . 0.0 111.49 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.6 m 57.96 31.73 21.0 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.691 0.758 . . . . 0.0 109.793 -177.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.9 t -100.03 -13.64 18.97 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.845 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -98.48 153.4 38.0 Favored Pre-proline 0 CA--C 1.537 0.477 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.933 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -92.64 130.67 0.95 Allowed 'Trans proline' 0 C--N 1.37 1.661 0 C-N-CA 122.946 2.43 . . . . 0.0 112.027 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.2 mt -73.75 -62.48 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.109 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.4 p -139.64 148.81 42.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.933 0.397 . . . . 0.0 111.921 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.435 ' HB2' HD11 ' A' ' 91' ' ' LEU . 15.3 tmm? -98.52 119.29 36.97 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.959 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.49 149.99 41.54 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.5 t -100.07 134.75 38.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.622 178.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.22 132.64 44.36 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.794 0.33 . . . . 0.0 111.346 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.457 HD11 ' HB2' ' A' ' 86' ' ' ARG . 83.8 mt -94.01 -24.62 17.57 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.737 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -149.25 -174.93 4.79 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -91.17 151.21 21.05 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.436 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -151.41 136.69 17.6 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.343 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.4 ' HA ' HG23 ' A' ' 40' ' ' THR . 26.4 mmt -116.1 137.33 52.22 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.235 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.96 110.41 59.25 Favored Pre-proline 0 CA--C 1.535 0.39 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -178.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -74.47 -55.02 0.09 OUTLIER 'Trans proline' 0 C--N 1.363 1.326 0 C-N-CA 122.408 2.072 . . . . 0.0 111.515 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -91.44 161.77 14.85 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.775 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.4 p -61.39 -26.21 67.7 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.804 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.47 ' CZ ' HD23 ' A' ' 7' ' ' LEU . 1.9 tmt_? -68.68 -29.5 67.96 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.528 -178.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -89.94 168.81 11.74 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.452 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.557 HD21 HG23 ' A' ' 65' ' ' VAL . 57.7 tp -125.17 136.88 54.03 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.419 -179.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.4 HG23 ' HA ' ' A' ' 32' ' ' MET . 28.6 m -89.37 121.89 32.07 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 70.5 mt -127.73 147.19 32.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.164 -178.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -112.88 152.51 29.19 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.199 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.9 ttp85 -62.93 120.93 12.29 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.639 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.92 -7.34 57.25 Favored Glycine 0 C--N 1.338 0.674 0 C-N-CA 120.99 -0.624 . . . . 0.0 114.102 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -79.94 152.41 29.57 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 117.49 0.645 . . . . 0.0 111.694 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.9 t -87.48 122.79 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.761 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.403 HG22 HG22 ' A' ' 65' ' ' VAL . 21.5 t -126.45 124.22 64.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 120.684 0.278 . . . . 0.0 111.218 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -95.11 128.55 42.03 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.184 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.8 t -92.0 127.58 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.254 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -108.13 -33.23 7.22 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.832 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 12' ' ' LEU . 61.4 p -136.83 142.33 42.87 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -179.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.3 mttm -125.77 111.01 14.39 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.121 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.498 HD23 ' HB3' ' A' ' 11' ' ' LYS . 83.8 mt -68.72 156.66 37.84 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -178.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -140.42 153.96 46.5 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.74 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.93 -104.79 1.7 Allowed Glycine 0 C--N 1.335 0.502 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.869 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -85.77 -24.66 26.77 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.465 0.174 . . . . 0.0 111.053 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -132.07 58.08 0.71 Allowed Glycine 0 C--N 1.336 0.538 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.666 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.464 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -72.22 -12.79 61.32 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 179.77 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.5 mt -90.01 5.21 47.58 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -110.59 119.06 37.94 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.143 0.497 . . . . 0.0 111.261 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -111.85 -175.67 2.75 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.405 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.4 158.07 30.58 Favored Glycine 0 C--N 1.338 0.665 0 C-N-CA 120.69 -0.767 . . . . 0.0 113.048 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 172.89 -148.72 10.69 Favored Glycine 0 C--N 1.337 0.607 0 C-N-CA 121.481 -0.39 . . . . 0.0 112.681 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.473 ' HB2' ' HA ' ' A' ' 74' ' ' ALA . 88.6 p -128.35 164.17 23.23 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 122.36 0.264 . . . . 0.0 110.561 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.557 HG23 HD21 ' A' ' 39' ' ' LEU . 60.3 t -112.39 121.16 64.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-O 120.779 0.324 . . . . 0.0 111.611 -179.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -92.99 139.04 30.94 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.025 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 145.1 -48.62 0.7 Allowed Glycine 0 C--N 1.334 0.441 0 C-N-CA 121.047 -0.596 . . . . 0.0 112.661 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -115.19 132.46 56.6 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.635 0.255 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -138.27 77.11 1.61 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.302 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -121.08 -14.34 8.42 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.8 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -172.53 95.03 0.1 Allowed Glycine 0 C--N 1.332 0.338 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.168 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 61.2 -90.25 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.694 0.798 . . . . 0.0 111.618 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.36 -80.08 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.059 0.944 . . . . 0.0 112.102 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.473 ' HA ' ' HB2' ' A' ' 64' ' ' SER . . . -77.07 -14.33 59.83 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.14 -35.97 78.94 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.786 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -97.92 153.98 17.97 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.243 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.3 mt -117.96 123.36 45.58 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.025 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.524 ' HA3' ' HB2' ' A' ' 39' ' ' LEU . . . -114.96 175.01 15.69 Favored Glycine 0 C--N 1.334 0.421 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.758 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -122.72 144.71 48.98 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.09 0.472 . . . . 0.0 111.314 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -147.48 156.05 45.65 Favored Pre-proline 0 CA--C 1.541 0.617 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.221 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.415 ' O ' HG12 ' A' ' 84' ' ' ILE . 11.2 Cg_exo -71.05 139.47 35.84 Favored 'Trans proline' 0 C--N 1.367 1.539 0 C-N-CA 122.18 1.92 . . . . 0.0 111.424 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.8 p -63.14 -21.82 66.45 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.788 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.4 p -65.66 -21.43 66.55 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 81' ' ' PRO . 27.7 pt -91.56 -1.68 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.0 m -125.14 154.0 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.457 ' HB2' HD11 ' A' ' 28' ' ' LEU . 67.3 ttt-85 -125.27 116.51 22.07 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.718 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -78.88 122.15 25.75 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.399 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -105.7 -36.97 6.89 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.286 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.589 HE22 HD23 ' A' ' 91' ' ' LEU . 1.4 tt0 -147.7 141.66 25.89 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.8 m -98.34 123.83 42.66 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 177.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.589 HD23 HE22 ' A' ' 89' ' ' GLN . 8.2 mt -84.86 -39.16 18.6 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -177.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -152.91 135.24 9.06 Favored Pre-proline 0 CA--C 1.544 0.722 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -53.73 134.55 59.09 Favored 'Trans proline' 0 C--N 1.372 1.763 0 C-N-CA 123.587 2.858 . . . . 0.0 114.364 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.45 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -110.73 87.14 0.46 Allowed Glycine 0 C--N 1.335 0.488 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 178.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.9 ptpp? -130.24 34.82 4.16 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.423 HG21 ' HA ' ' A' ' 15' ' ' ASP . 60.8 t -122.42 107.54 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 120.894 0.378 . . . . 0.0 110.005 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -84.32 120.75 26.62 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.194 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.54 129.79 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.248 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.428 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 9.8 mtmp? -79.09 152.13 31.01 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.325 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.3 p -95.51 161.33 14.11 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.574 0.226 . . . . 0.0 110.986 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -119.34 -173.65 2.56 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.126 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -70.29 -35.31 73.62 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.975 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -94.38 56.64 2.17 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.386 0.612 . . . . 0.0 111.312 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.76 -51.13 1.59 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.84 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -118.84 63.44 0.78 Allowed 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.076 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -150.5 102.05 3.01 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.233 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 69.8 m -94.79 93.78 7.69 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.669 178.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.702 -179.37 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.1 mtp . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 121.121 0.486 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.95 172.87 38.29 Favored Glycine 0 CA--C 1.524 0.6 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.874 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -81.18 129.73 6.94 Favored 'Trans proline' 0 C--N 1.361 1.227 0 C-N-CA 122.624 2.216 . . . . 0.0 112.33 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -144.32 158.62 54.27 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.746 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -50.86 144.73 26.17 Favored 'Trans proline' 0 C--N 1.377 2.033 0 C-N-CA 123.283 2.656 . . . . 0.0 113.83 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -89.59 172.87 8.65 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.222 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.456 HD21 ' CZ ' ' A' ' 37' ' ' ARG . 1.4 mm? -93.19 -43.9 8.61 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.61 -159.46 1.02 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.204 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -123.61 -34.56 3.04 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.767 -0.197 . . . . 0.0 111.189 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.416 ' HE ' ' NZ ' ' A' ' 99' ' ' LYS . 64.8 mtt85 -126.06 159.86 31.63 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.086 0.47 . . . . 0.0 111.871 -179.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.703 ' HB3' HD23 ' A' ' 53' ' ' LEU . 43.3 pttt -136.79 171.45 14.48 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.643 -179.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' A' ' 51' ' ' SER . 4.1 mm? -110.18 127.62 55.03 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.082 178.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.403 ' HA ' HD11 ' A' ' 22' ' ' ILE . 75.2 m -134.04 166.83 21.82 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.606 0.566 . . . . 0.0 110.187 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.432 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -76.56 -39.0 54.06 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.014 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -129.5 172.11 11.89 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.381 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -68.26 -18.56 64.57 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.67 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -88.54 -20.89 24.47 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.268 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.4 t 58.05 29.16 17.36 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 124.146 0.903 . . . . 0.0 109.49 -178.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 t -92.75 -5.14 51.87 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.185 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -101.76 148.03 34.7 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.48 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -89.7 120.38 0.94 Allowed 'Trans proline' 0 C--N 1.367 1.529 0 C-N-CA 122.693 2.262 . . . . 0.0 111.454 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.403 HD11 ' HA ' ' A' ' 13' ' ' CYS . 60.4 mt -64.6 -65.71 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.435 -179.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.8 m -141.24 146.57 37.02 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.119 0.485 . . . . 0.0 112.143 -178.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.421 ' HB2' HD11 ' A' ' 91' ' ' LEU . 16.0 tmm? -93.47 123.55 36.85 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.462 179.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.19 148.11 44.07 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.913 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.9 t -98.02 137.64 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.457 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.74 133.16 35.62 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.488 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 mp -100.25 -16.79 17.61 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.413 ' HA ' ' HE ' ' A' ' 43' ' ' ARG . 1.8 pt20 -151.9 173.59 14.62 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -80.64 148.85 30.07 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.157 -0.928 . . . . 0.0 111.524 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -152.02 138.76 18.84 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.611 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.401 ' HA ' HG23 ' A' ' 40' ' ' THR . 97.0 mmm -115.21 142.19 47.0 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.348 0.405 . . . . 0.0 110.077 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.2 108.66 25.68 Favored Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -81.01 -49.37 0.06 OUTLIER 'Trans proline' 0 C--N 1.365 1.435 0 C-N-CA 122.678 2.252 . . . . 0.0 112.479 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -90.39 164.17 14.41 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.4 t -61.45 -35.68 78.27 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.54 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.456 ' CZ ' HD21 ' A' ' 7' ' ' LEU . 42.9 ptt85 -88.09 12.36 13.77 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -178.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -103.68 161.07 14.22 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.609 0.243 . . . . 0.0 111.118 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.417 ' HG ' ' HA3' ' A' ' 78' ' ' GLY . 36.5 mt -118.95 143.35 47.08 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.401 HG23 ' HA ' ' A' ' 32' ' ' MET . 48.3 m -95.71 116.87 29.5 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.0 mt -122.31 132.53 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.084 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -94.01 157.76 15.95 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.794 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.413 ' HE ' ' HA ' ' A' ' 29' ' ' GLN . 32.0 ttm180 -63.96 115.12 4.58 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.573 -178.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.61 7.49 53.62 Favored Glycine 0 C--N 1.339 0.7 0 C-N-CA 121.005 -0.617 . . . . 0.0 114.257 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -83.44 150.86 25.78 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 117.877 0.838 . . . . 0.0 112.046 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 56.2 t -86.14 120.17 35.55 Favored 'Isoleucine or valine' 0 C--O 1.23 0.042 0 CA-C-N 114.993 -1.003 . . . . 0.0 108.956 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.0 t -123.72 125.87 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.697 0.284 . . . . 0.0 111.21 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -91.92 123.79 35.55 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.672 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.2 t -90.36 124.45 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.326 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -107.32 -35.9 6.67 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.076 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 12' ' ' LEU . 68.8 p -140.48 144.38 36.0 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -178.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -124.46 110.64 14.76 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.205 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.703 HD23 ' HB3' ' A' ' 11' ' ' LYS . 41.5 mt -71.69 154.35 41.42 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -112.18 -134.49 0.35 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.692 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 60.54 -143.5 47.93 Favored Glycine 0 C--N 1.351 1.397 0 N-CA-C 114.117 0.407 . . . . 0.0 114.117 179.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -77.81 -22.75 49.57 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.324 -0.438 . . . . 0.0 111.259 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -113.34 52.44 0.64 Allowed Glycine 0 C--N 1.335 0.497 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.927 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.6 ptt-85 -72.44 -6.92 46.97 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 75.8 mt -87.22 -2.2 58.45 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.308 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -98.75 119.44 37.5 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 121.417 0.627 . . . . 0.0 111.548 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 33.3 m0 -106.26 -175.31 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.035 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.425 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -166.54 164.93 38.04 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.804 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 157.36 -145.25 11.65 Favored Glycine 0 C--N 1.335 0.525 0 C-N-CA 121.511 -0.376 . . . . 0.0 112.215 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 97.7 p -126.84 162.68 25.33 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.6 p -117.33 130.83 71.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-O 121.394 0.616 . . . . 0.0 112.265 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -85.1 167.33 15.87 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.177 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.73 112.52 2.28 Favored Glycine 0 C--N 1.334 0.471 0 CA-C-N 115.93 -0.577 . . . . 0.0 113.341 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 62.34 107.93 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.903 0.881 . . . . 0.0 112.843 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -108.47 96.16 6.16 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.138 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -90.55 -7.72 52.14 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.783 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 151.14 -90.79 0.13 Allowed Glycine 0 C--N 1.334 0.455 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.699 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -94.02 103.82 15.88 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.754 0.311 . . . . 0.0 110.909 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.8 tp -151.78 -50.35 0.11 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.757 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.3 -16.15 22.63 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.123 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.44 -35.32 75.56 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.515 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.1 148.35 26.92 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.088 179.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.5 mt -110.32 133.05 53.64 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.57 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.417 ' HA3' ' HG ' ' A' ' 39' ' ' LEU . . . -122.45 -167.75 13.06 Favored Glycine 0 C--N 1.335 0.488 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.805 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.425 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 40.7 m-85 -130.81 156.78 44.41 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.836 0.351 . . . . 0.0 111.05 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -153.74 150.19 22.55 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.753 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.415 ' O ' HG12 ' A' ' 84' ' ' ILE . 7.5 Cg_exo -73.59 135.62 22.25 Favored 'Trans proline' 0 C--N 1.365 1.443 0 C-N-CA 122.285 1.99 . . . . 0.0 111.772 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.9 p -64.82 -20.04 66.18 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.719 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.3 p -66.43 -19.58 65.83 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 81' ' ' PRO . 28.3 pt -96.78 -3.59 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -179.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.405 HG13 HG13 ' A' ' 84' ' ' ILE . 26.2 m -120.06 162.5 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 121.172 0.51 . . . . 0.0 112.042 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -134.88 115.58 13.78 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.633 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -79.23 144.89 33.95 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.271 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -146.84 -30.86 0.35 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.565 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -135.77 141.05 44.75 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 49.6 m -107.17 124.12 49.26 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.799 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.421 HD11 ' HB2' ' A' ' 24' ' ' MET . 22.0 mt -87.83 -22.59 24.39 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.846 -178.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -167.06 129.23 1.33 Allowed Pre-proline 0 CA--C 1.542 0.645 0 O-C-N 123.526 0.517 . . . . 0.0 110.152 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -54.28 123.76 14.37 Favored 'Trans proline' 0 C--N 1.371 1.751 0 C-N-CA 122.452 2.101 . . . . 0.0 113.401 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -104.98 93.19 0.9 Allowed Glycine 0 C--N 1.335 0.519 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 178.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.55 33.08 2.04 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.6 t -121.51 112.09 33.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.088 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -78.67 118.66 20.97 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.264 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 16.2 t -125.27 132.13 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.944 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.416 ' NZ ' ' HE ' ' A' ' 10' ' ' ARG . 55.8 mttm -74.47 160.71 30.6 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.641 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.8 p -100.88 167.99 9.93 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.641 0.258 . . . . 0.0 110.612 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -119.33 -179.57 3.89 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.494 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -77.51 -27.17 51.7 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.344 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -74.11 -17.15 60.98 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.239 0.337 . . . . 0.0 111.151 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -78.08 -21.19 50.92 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.404 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -129.59 47.22 2.52 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.453 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -150.4 117.98 6.13 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.945 0.402 . . . . 0.0 111.172 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 75.8 m -114.97 156.82 24.35 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.691 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.679 179.497 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.583 0.23 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 151.6 168.56 16.18 Favored Glycine 0 C--N 1.335 0.517 0 CA-C-O 119.476 -0.625 . . . . 0.0 112.458 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.541 ' HA ' HH22 ' A' ' 37' ' ' ARG . 21.3 Cg_endo -90.23 130.44 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 122.888 2.392 . . . . 0.0 113.222 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 13.3 ptt? -138.22 171.66 7.96 Favored Pre-proline 0 CA--C 1.549 0.933 0 CA-C-O 118.379 -0.819 . . . . 0.0 109.166 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -46.23 139.12 12.53 Favored 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 122.474 2.116 . . . . 0.0 113.57 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -63.48 -24.99 68.06 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.356 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.4 mt 77.64 -46.04 0.46 Allowed 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.323 1.049 . . . . 0.0 111.568 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -143.56 169.87 16.9 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 122.488 0.315 . . . . 0.0 110.744 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -109.52 -42.51 4.3 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.374 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.471 ' HG3' ' HA ' ' A' ' 99' ' ' LYS . 1.7 mpp_? -125.33 155.53 40.12 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.093 0.473 . . . . 0.0 111.438 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -130.45 162.89 28.16 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.427 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.406 HD21 ' NZ ' ' A' ' 54' ' ' LYS . 2.7 mm? -114.2 119.51 37.3 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.254 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.416 ' HA ' HD11 ' A' ' 22' ' ' ILE . 61.4 m -120.18 175.85 5.74 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.331 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.438 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -87.66 -21.45 25.26 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.302 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -143.38 170.51 15.65 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.446 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -67.37 -23.02 65.55 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -88.77 -17.74 29.19 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.46 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.2 t 58.45 26.22 13.93 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 124.047 0.842 . . . . 0.0 109.767 -178.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.6 t -93.65 -4.07 51.32 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 114.496 -1.229 . . . . 0.0 110.726 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -98.13 147.52 33.2 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.469 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.495 ' HB2' HD12 ' A' ' 91' ' ' LEU . 44.2 Cg_endo -93.15 121.04 0.42 Allowed 'Trans proline' 0 C--N 1.365 1.412 0 C-N-CA 122.92 2.413 . . . . 0.0 112.098 179.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.416 HD11 ' HA ' ' A' ' 13' ' ' CYS . 49.9 mt -69.68 -66.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.511 -179.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.7 p -132.49 140.23 48.28 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.197 0.522 . . . . 0.0 112.369 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.5 ttp -91.96 114.0 26.43 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.656 178.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.96 141.85 49.29 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.4 t -93.97 133.68 34.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.315 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.01 128.96 38.13 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.96 0.409 . . . . 0.0 111.559 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.452 HD11 ' HB2' ' A' ' 86' ' ' ARG . 86.6 mt -90.97 -22.33 20.87 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.41 -0.813 . . . . 0.0 112.449 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -150.2 -174.82 4.84 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -91.6 154.26 19.17 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.082 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -151.19 134.0 15.74 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.634 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 93.6 mtp -109.65 130.04 55.54 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.576 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.84 119.14 67.27 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.88 -64.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.365 1.442 0 C-N-CA 122.65 2.233 . . . . 0.0 111.775 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -91.38 167.75 12.06 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.809 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.6 p -65.84 -15.15 62.65 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.541 HH22 ' HA ' ' A' ' 3' ' ' PRO . 65.5 mtt85 -75.75 -27.77 58.23 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.315 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -89.96 162.3 15.47 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.648 0.261 . . . . 0.0 110.969 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.648 HD21 HG23 ' A' ' 65' ' ' VAL . 66.2 tp -119.67 136.79 54.26 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.659 -178.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.4 m -88.77 123.27 33.02 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.7 mt -127.87 144.24 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.641 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -108.97 151.54 26.18 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.377 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -63.76 121.63 14.46 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.496 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.83 -11.44 52.94 Favored Glycine 0 C--N 1.338 0.664 0 C-N-CA 121.036 -0.602 . . . . 0.0 113.769 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -78.2 149.38 33.71 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 117.196 0.498 . . . . 0.0 111.806 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.3 t -86.5 123.41 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.464 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.495 HG22 HG22 ' A' ' 65' ' ' VAL . 8.8 t -121.04 121.8 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 111.33 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -91.2 124.19 35.22 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.971 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.7 t -88.35 131.49 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -112.04 -36.61 5.32 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.9 p -140.56 146.85 38.59 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -121.9 116.18 23.92 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.3 mt -72.6 142.96 48.38 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.406 ' NZ ' HD21 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -130.37 158.23 40.42 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.005 179.066 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.87 -102.13 1.35 Allowed Glycine 0 C--N 1.335 0.512 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.172 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -89.91 -17.04 28.73 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.677 0.275 . . . . 0.0 110.59 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.66 60.34 0.68 Allowed Glycine 0 C--N 1.337 0.619 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.993 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.2 tpt85 -68.78 -22.63 64.27 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 122.634 0.373 . . . . 0.0 111.349 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 73.4 mt -90.94 -1.06 57.87 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.413 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -101.13 125.88 47.79 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.103 0.477 . . . . 0.0 111.455 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -112.06 -173.41 2.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.402 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' ' 79' ' ' TYR . . . -164.99 154.05 24.61 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.767 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 170.47 -150.57 14.56 Favored Glycine 0 C--N 1.337 0.589 0 C-N-CA 121.315 -0.469 . . . . 0.0 112.437 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.5 t -142.69 146.79 34.75 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.577 0.227 . . . . 0.0 110.75 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.648 HG23 HD21 ' A' ' 39' ' ' LEU . 98.4 t -88.86 133.02 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.206 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -91.35 -85.17 0.24 Allowed 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 76.22 -73.98 1.72 Allowed Glycine 0 C--N 1.346 1.113 0 C-N-CA 121.563 -0.351 . . . . 0.0 112.46 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -127.65 -22.53 3.58 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.5 t80 66.85 -78.97 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 114.437 -1.256 . . . . 0.0 112.834 178.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 28.9 p90 45.56 26.47 0.32 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.872 1.269 . . . . 0.0 113.976 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.62 -63.81 3.23 Favored Glycine 0 C--N 1.34 0.75 0 C-N-CA 121.389 -0.434 . . . . 0.0 114.006 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -65.88 167.49 9.47 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 122.619 0.368 . . . . 0.0 111.531 -178.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.3 tm? 85.38 -47.05 0.07 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.312 1.445 . . . . 0.0 111.129 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.27 40.18 0.94 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.059 0.457 . . . . 0.0 111.624 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.41 -13.9 31.54 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.617 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.58 168.35 19.94 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.565 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.3 mt -115.47 129.21 56.48 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.217 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -113.86 -175.19 18.97 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.002 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.403 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 84.2 m-85 -129.94 144.86 51.54 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.773 0.32 . . . . 0.0 110.671 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -148.09 151.25 37.29 Favored Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.016 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.413 ' O ' HG12 ' A' ' 84' ' ' ILE . 11.2 Cg_exo -71.51 137.91 31.42 Favored 'Trans proline' 0 C--N 1.366 1.48 0 C-N-CA 122.194 1.929 . . . . 0.0 111.443 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 93.2 p -64.8 -19.19 65.7 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.721 0.296 . . . . 0.0 111.642 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.0 p -66.61 -19.62 65.81 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 81' ' ' PRO . 29.3 pt -95.82 -1.38 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -179.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.4 m -119.63 159.05 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.452 ' HB2' HD11 ' A' ' 28' ' ' LEU . 53.5 ttt85 -125.54 110.1 13.46 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.708 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -79.19 130.9 35.95 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.3 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -130.08 -31.81 1.87 Allowed 'General case' 0 C--O 1.234 0.25 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -141.79 139.55 32.8 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.925 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.2 m -100.05 125.04 46.07 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.495 HD12 ' HB2' ' A' ' 21' ' ' PRO . 23.0 mt -86.94 -24.83 24.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.599 -178.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.412 ' NZ ' ' HB2' ' A' ' 92' ' ' LYS . 1.1 ttmp? -170.97 131.01 0.81 Allowed Pre-proline 0 N--CA 1.471 0.579 0 O-C-N 123.614 0.571 . . . . 0.0 110.09 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -54.73 133.85 59.52 Favored 'Trans proline' 0 C--N 1.368 1.598 0 C-N-CA 123.088 2.525 . . . . 0.0 114.154 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.438 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -104.07 86.8 0.53 Allowed Glycine 0 C--N 1.337 0.599 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 178.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -123.87 27.9 7.07 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 37.2 t -117.31 139.32 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -112.29 120.76 42.83 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.848 0.356 . . . . 0.0 111.129 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.72 129.82 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.159 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.471 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 7.2 mtpm? -79.56 158.74 27.08 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.394 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 58.8 p -110.9 159.38 17.75 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.717 0.294 . . . . 0.0 111.159 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -122.49 -175.45 3.14 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.754 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -15.41 61.45 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -178.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -83.09 -2.64 55.92 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.562 0.22 . . . . 0.0 111.106 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.71 -26.14 15.28 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.407 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -124.57 60.77 1.16 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.185 0.517 . . . . 0.0 111.364 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -151.86 131.19 12.85 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -125.92 28.95 6.01 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -177.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.034 179.148 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.564 0.221 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 113.15 -179.41 19.06 Favored Glycine 0 C--N 1.337 0.592 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.412 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -78.74 130.97 9.97 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 122.399 2.066 . . . . 0.0 112.156 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.412 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 3.0 ppp? -138.69 166.42 25.36 Favored Pre-proline 0 CA--C 1.547 0.849 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.616 -178.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 4' ' ' MET . 3.5 Cg_endo -44.68 147.27 1.84 Allowed 'Trans proline' 0 C--N 1.383 2.361 0 C-N-CA 123.466 2.778 . . . . 0.0 113.769 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 7' ' ' LEU . 9.7 mtmp? -75.65 -24.73 56.41 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.871 -178.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 6' ' ' LYS . 3.7 mm? 78.44 -50.92 0.48 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.466 1.106 . . . . 0.0 110.605 -177.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.4 -166.22 2.48 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.62 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -121.23 -42.19 2.48 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.477 0.18 . . . . 0.0 111.424 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.443 ' HG2' ' HG3' ' A' ' 99' ' ' LYS . 99.3 mtt180 -126.54 161.83 27.08 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.082 0.468 . . . . 0.0 111.528 -179.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.518 ' HB3' HD23 ' A' ' 53' ' ' LEU . 46.8 pttt -129.63 174.13 9.97 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.477 -179.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.445 HD11 ' HD2' ' A' ' 54' ' ' LYS . 91.8 mt -119.47 114.43 22.28 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.88 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 60.2 m -121.84 171.71 8.7 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.591 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.469 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -80.18 -42.45 23.34 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -126.06 174.25 8.6 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -67.04 -19.79 65.74 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.336 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -88.63 -19.11 26.66 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.608 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.7 t 59.1 27.04 15.88 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 124.043 0.84 . . . . 0.0 109.684 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.6 t -102.73 41.41 1.25 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-N 114.528 -1.214 . . . . 0.0 109.756 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -142.64 143.17 25.13 Favored Pre-proline 0 CA--C 1.537 0.445 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.355 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.402 ' HB2' HD12 ' A' ' 91' ' ' LEU . 35.5 Cg_endo -90.02 116.68 0.64 Allowed 'Trans proline' 0 C--N 1.365 1.424 0 C-N-CA 122.618 2.212 . . . . 0.0 111.762 179.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.5 mt -65.61 -65.57 0.56 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.108 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.418 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.5 m -138.54 144.56 39.97 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.026 0.441 . . . . 0.0 112.153 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -90.75 113.84 26.04 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.87 146.95 39.27 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.7 t -94.72 139.66 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.979 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.24 134.22 33.85 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mp -110.74 -0.3 17.11 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -178.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -142.82 170.39 15.79 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -96.06 137.3 35.34 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 114.262 -1.336 . . . . 0.0 109.296 177.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -150.74 143.13 24.31 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.707 0.289 . . . . 0.0 111.244 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.419 ' HA ' HG23 ' A' ' 40' ' ' THR . 97.2 mmm -113.49 142.13 46.29 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.05 178.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.62 112.46 39.92 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.99 -58.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.364 1.351 0 C-N-CA 122.589 2.193 . . . . 0.0 112.285 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -91.45 169.0 11.13 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.454 0.645 . . . . 0.0 112.497 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 38.1 t -61.03 -24.78 66.43 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 114.508 -1.224 . . . . 0.0 114.083 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.434 ' HE ' ' HB3' ' A' ' 105' ' ' PHE . 0.1 OUTLIER -102.38 15.94 27.7 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -178.418 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -109.07 162.91 13.8 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.04 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.557 ' HG ' ' HA3' ' A' ' 78' ' ' GLY . 37.9 mt -113.1 148.33 35.5 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -178.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.419 HG23 ' HA ' ' A' ' 32' ' ' MET . 61.3 m -99.57 111.59 23.92 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 177.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 64.9 mt -110.56 152.55 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.904 -178.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -118.89 150.29 40.12 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.018 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -63.21 102.21 0.37 Allowed 'General case' 0 CA--C 1.535 0.373 0 O-C-N 123.412 0.445 . . . . 0.0 110.752 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.16 16.94 9.21 Favored Glycine 0 C--N 1.341 0.839 0 CA-C-N 115.908 -0.587 . . . . 0.0 113.203 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.43 HE21 ' HA3' ' A' ' 67' ' ' GLY . 7.1 mt-30 -91.96 143.93 25.98 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.96 0.38 . . . . 0.0 111.735 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.2 t -83.1 115.86 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.557 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.7 t -120.1 132.69 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.734 0.302 . . . . 0.0 111.366 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -101.36 124.34 46.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.318 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.9 t -86.7 130.11 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.542 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -111.99 -40.94 4.09 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.699 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.413 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 62.8 p -138.01 143.87 40.8 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -122.12 113.62 19.76 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.632 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.518 HD23 ' HB3' ' A' ' 11' ' ' LYS . 71.0 mt -73.03 148.29 44.27 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.445 ' HD2' HD11 ' A' ' 12' ' ' LEU . 56.8 mtpt -123.36 168.16 12.87 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.264 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.38 -117.08 4.98 Favored Glycine 0 C--N 1.337 0.589 0 CA-C-N 116.077 -0.511 . . . . 0.0 112.737 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 83.5 mtm-85 -71.35 -31.67 67.64 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.784 0.326 . . . . 0.0 110.777 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -110.72 50.77 0.74 Allowed Glycine 0 C--N 1.334 0.448 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.833 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -68.63 -18.29 64.27 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 pp -104.32 6.53 35.32 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.691 0.282 . . . . 0.0 111.049 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -104.57 118.12 35.81 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.145 0.498 . . . . 0.0 110.932 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 36.1 m0 -109.24 179.65 4.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.168 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -160.05 156.64 27.89 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.324 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 169.8 -147.25 10.69 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.319 -0.467 . . . . 0.0 112.366 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.8 p -136.63 128.49 29.19 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.609 0.242 . . . . 0.0 110.51 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 p -88.03 126.44 41.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.227 0.537 . . . . 0.0 111.769 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -82.18 -68.84 0.66 Allowed 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.43 ' HA3' HE21 ' A' ' 45' ' ' GLN . . . 75.58 -74.86 1.48 Allowed Glycine 0 C--N 1.341 0.822 0 CA-C-N 115.827 -0.624 . . . . 0.0 113.183 178.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -135.97 -33.04 0.86 Allowed 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.651 0.265 . . . . 0.0 110.635 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 39.8 t80 56.27 87.4 0.06 Allowed 'General case' 0 N--CA 1.473 0.722 0 O-C-N 124.251 0.969 . . . . 0.0 111.176 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -116.58 -8.37 11.51 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.566 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -151.55 -110.42 0.47 Allowed Glycine 0 C--N 1.334 0.469 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.459 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -144.01 110.52 5.55 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.67 0.272 . . . . 0.0 110.639 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -143.07 -16.1 0.68 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.109 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.21 -2.5 58.42 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.617 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.11 -35.94 78.94 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.668 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -99.03 146.57 25.91 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.247 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 27.0 mt -106.4 128.03 53.73 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.654 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.557 ' HA3' ' HG ' ' A' ' 39' ' ' LEU . . . -119.58 -173.84 15.47 Favored Glycine 0 C--N 1.334 0.449 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.203 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -129.67 147.7 51.48 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.656 0.265 . . . . 0.0 111.04 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -146.86 156.5 47.78 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.529 -178.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -77.73 126.85 8.38 Favored 'Trans proline' 0 C--N 1.37 1.667 0 C-N-CA 122.6 2.2 . . . . 0.0 112.085 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.426 ' HA ' HG22 ' A' ' 85' ' ' VAL . 98.1 p -63.37 -18.66 63.91 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.159 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.1 m -62.78 -17.05 60.48 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.6 pt -107.33 -6.92 10.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.426 HG22 ' HA ' ' A' ' 82' ' ' SER . 22.9 m -105.8 161.28 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 120.644 -0.423 . . . . 0.0 111.766 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.6 ttt-85 -140.67 109.4 5.99 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.753 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -72.63 133.4 44.65 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.532 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -127.22 -34.28 2.32 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.059 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -141.15 124.35 16.47 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.9 m -88.76 126.23 35.24 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.2 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.402 HD12 ' HB2' ' A' ' 21' ' ' PRO . 13.8 mt -87.53 -42.6 12.64 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.849 -179.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -144.7 133.35 10.99 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.697 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -61.25 131.15 35.1 Favored 'Trans proline' 0 C--N 1.367 1.508 0 C-N-CA 122.644 2.229 . . . . 0.0 113.788 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.469 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -106.59 93.45 0.86 Allowed Glycine 0 C--N 1.335 0.515 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.309 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -137.36 36.12 2.5 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 81.2 t -128.06 113.67 31.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.147 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -81.19 122.68 27.69 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.4 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 23.1 t -125.98 138.4 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.912 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.443 ' HG3' ' HG2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -79.86 153.97 28.7 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.587 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 46.0 p -98.97 135.42 40.4 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.807 0.337 . . . . 0.0 111.032 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -86.7 -174.62 5.06 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.482 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -1.58 56.67 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -102.76 21.46 15.45 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.85 0.357 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -109.18 -15.21 14.35 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.644 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.434 ' HB3' ' HE ' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -151.43 47.94 0.82 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.017 0.437 . . . . 0.0 111.813 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -150.9 107.95 3.57 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.309 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 92.1 m -104.96 140.37 38.28 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.536 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.877 179.473 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 120.697 0.284 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 135.24 172.45 12.73 Favored Glycine 0 CA--C 1.522 0.47 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.44 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -81.23 111.22 2.37 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 122.498 2.132 . . . . 0.0 112.186 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -116.54 155.24 48.93 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.847 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -55.68 146.57 64.77 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 122.809 2.34 . . . . 0.0 112.962 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -61.33 136.58 58.09 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.129 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.84 -38.52 28.1 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.21 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -156.1 179.56 9.11 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.532 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -101.79 -61.23 1.41 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.029 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -118.78 150.67 39.4 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.024 0.44 . . . . 0.0 111.248 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.437 ' HB3' HD23 ' A' ' 53' ' ' LEU . 52.4 pttt -124.68 172.45 9.26 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.608 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.2 mt -116.81 113.64 22.82 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.466 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 63.2 m -117.43 176.94 4.93 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.54 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.454 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -81.56 -28.61 33.78 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -152.0 177.97 9.92 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.224 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -63.48 -20.93 66.01 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.313 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.1 mp0 -88.53 -21.54 24.06 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.887 -0.142 . . . . 0.0 111.07 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.9 t 54.77 31.73 16.08 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.771 0.796 . . . . 0.0 109.939 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.3 t -97.71 -5.13 35.82 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 114.722 -1.126 . . . . 0.0 111.205 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -102.12 149.94 37.04 Favored Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.669 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -93.2 128.97 0.72 Allowed 'Trans proline' 0 C--N 1.366 1.475 0 C-N-CA 122.861 2.374 . . . . 0.0 112.223 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.6 mt -71.85 -61.76 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.18 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.7 m -139.66 147.29 40.79 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 24.5 ttp -89.73 111.59 22.62 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.944 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.42 145.16 39.44 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.854 0.359 . . . . 0.0 111.884 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.8 t -99.5 139.09 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.363 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.71 133.48 34.01 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.184 0.303 . . . . 0.0 111.442 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.38 -14.81 19.01 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.509 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -151.68 -175.76 5.34 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.87 154.7 17.47 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.189 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -151.14 149.39 29.42 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.07 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.532 ' HA ' HG23 ' A' ' 40' ' ' THR . 67.3 mtm -125.1 140.1 53.19 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.831 0.348 . . . . 0.0 111.079 179.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.434 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . . . -94.5 116.15 66.07 Favored Pre-proline 0 C--O 1.236 0.343 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.543 -178.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 10.2 Cg_exo -72.31 -64.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.363 1.321 0 C-N-CA 122.342 2.028 . . . . 0.0 110.88 178.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -92.55 170.42 9.76 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.443 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.9 t -66.33 -12.53 57.17 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.79 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -83.27 -19.17 36.82 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -98.2 172.85 7.32 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.778 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.4 tp -126.17 138.96 53.7 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.743 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.532 HG23 ' HA ' ' A' ' 32' ' ' MET . 24.4 m -92.41 125.16 36.94 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.7 mt -125.25 151.64 31.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.543 -178.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -118.92 153.48 34.51 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -62.45 116.02 4.73 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.742 0.306 . . . . 0.0 111.491 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.34 2.24 44.36 Favored Glycine 0 C--N 1.339 0.703 0 C-N-CA 121.052 -0.594 . . . . 0.0 114.165 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -82.67 147.32 28.59 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 117.701 0.75 . . . . 0.0 111.677 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.1 t -85.91 105.06 14.14 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-N 115.326 -0.852 . . . . 0.0 108.787 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.447 HG22 HG12 ' A' ' 65' ' ' VAL . 11.5 t -105.41 117.68 51.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 120.968 0.413 . . . . 0.0 111.891 -178.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -85.53 121.91 28.9 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.873 178.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.8 t -87.44 114.76 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 O-C-N 123.371 0.419 . . . . 0.0 110.283 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -94.38 -38.39 10.99 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.104 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.4 p -141.68 148.5 39.2 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -178.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -120.76 115.76 23.92 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.348 -0.842 . . . . 0.0 108.772 178.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.437 HD23 ' HB3' ' A' ' 11' ' ' LYS . 53.5 mt -70.93 152.67 43.4 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -178.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -126.72 -40.43 1.91 Allowed 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.885 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.58 103.85 0.55 Allowed Glycine 0 C--N 1.341 0.845 0 O-C-N 123.496 0.498 . . . . 0.0 113.039 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 42.54 27.86 0.1 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.723 1.209 . . . . 0.0 113.349 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -160.79 52.5 0.34 Allowed Glycine 0 C--N 1.337 0.626 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.052 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -72.4 -13.76 61.54 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 111.567 0.21 . . . . 0.0 111.567 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 73.7 mt -90.86 1.28 57.1 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.499 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -112.84 124.76 53.33 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.332 0.587 . . . . 0.0 111.43 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -110.54 -174.23 2.43 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.03 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -160.24 151.02 21.53 Favored Glycine 0 C--N 1.334 0.431 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.915 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 175.02 -152.34 13.54 Favored Glycine 0 C--O 1.24 0.518 0 C-N-CA 121.389 -0.434 . . . . 0.0 112.699 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.4 t -138.69 168.8 19.0 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 123.731 0.312 . . . . 0.0 110.608 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.447 HG12 HG22 ' A' ' 47' ' ' VAL . 1.3 m -105.39 121.41 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -92.23 -26.82 18.0 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -58.13 103.01 0.29 Allowed Glycine 0 C--N 1.341 0.848 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.913 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 78.44 78.29 0.06 Allowed 'General case' 0 N--CA 1.475 0.794 0 O-C-N 125.42 1.306 . . . . 0.0 110.655 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -95.14 -83.88 0.35 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.721 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 7.5 t80 45.99 47.84 12.54 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.927 0.891 . . . . 0.0 112.857 178.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 161.31 -103.09 0.22 Allowed Glycine 0 C--N 1.336 0.546 0 C-N-CA 120.63 -0.795 . . . . 0.0 113.148 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -165.26 114.26 1.04 Allowed 'General case' 0 C--O 1.236 0.351 0 C-N-CA 122.802 0.441 . . . . 0.0 110.27 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.4 pp -159.89 6.22 0.09 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.798 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.64 -1.4 58.01 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.005 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.1 -37.15 69.6 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.982 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -78.78 98.91 6.47 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.657 0.741 . . . . 0.0 110.846 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.2 tp -91.3 132.18 36.32 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.922 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -142.66 -177.98 18.18 Favored Glycine 0 C--N 1.34 0.784 0 C-N-CA 120.276 -0.964 . . . . 0.0 113.627 -179.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -111.15 156.46 21.35 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.724 0.297 . . . . 0.0 111.347 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -154.13 156.87 32.27 Favored Pre-proline 0 CA--C 1.544 0.716 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.811 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.477 ' O ' HG12 ' A' ' 84' ' ' ILE . 8.6 Cg_exo -72.18 136.01 26.04 Favored 'Trans proline' 0 C--N 1.369 1.643 0 C-N-CA 122.239 1.96 . . . . 0.0 111.704 179.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 98.2 p -64.86 -23.93 67.38 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.585 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.6 m -66.55 -17.68 64.95 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -179.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.504 HG13 HG13 ' A' ' 85' ' ' VAL . 21.1 pt -94.18 -6.83 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 120.407 -0.517 . . . . 0.0 112.308 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.504 HG13 HG13 ' A' ' 84' ' ' ILE . 34.5 m -122.38 166.97 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.879 0.371 . . . . 0.0 111.779 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -140.56 116.81 10.62 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.55 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -77.53 128.58 34.4 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.42 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -123.35 -36.25 2.84 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.735 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.617 HE22 HD23 ' A' ' 91' ' ' LEU . 1.4 tm0? -137.64 136.92 37.92 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -178.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.3 m -98.69 124.98 43.85 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.617 HD23 HE22 ' A' ' 89' ' ' GLN . 10.6 mt -86.19 -40.57 15.47 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.844 -178.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt -154.4 134.11 7.73 Favored Pre-proline 0 CA--C 1.544 0.717 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.805 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -50.5 132.96 36.73 Favored 'Trans proline' 0 C--N 1.373 1.842 0 C-N-CA 123.118 2.545 . . . . 0.0 114.517 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.454 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -111.99 82.37 0.3 Allowed Glycine 0 C--N 1.334 0.462 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 178.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.42 36.71 4.35 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -178.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.0 t -126.12 115.31 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.135 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -86.17 119.92 26.97 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.268 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 26.3 t -128.86 132.74 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.117 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.29 160.75 22.84 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.793 -0.185 . . . . 0.0 110.659 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 79.6 p -103.6 139.58 38.7 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.77 0.319 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -90.32 -175.13 4.4 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.856 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -18.41 49.5 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.798 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -80.1 -4.27 52.16 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -84.65 -37.9 20.48 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.644 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -93.22 -15.13 26.24 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.525 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -89.65 94.93 10.04 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.961 0.41 . . . . 0.0 110.715 -179.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 53.7 t -103.44 107.14 17.86 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.123 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.266 -0.874 . . . . 0.0 110.928 179.687 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.9 ttp . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.68 0.276 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 128.06 176.72 14.56 Favored Glycine 0 CA--C 1.524 0.62 0 CA-C-O 119.584 -0.564 . . . . 0.0 112.612 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -78.56 121.84 5.3 Favored 'Trans proline' 0 C--N 1.362 1.247 0 C-N-CA 122.4 2.066 . . . . 0.0 112.188 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 21.0 ptm -139.72 157.65 69.5 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.706 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.68 144.02 66.66 Favored 'Trans proline' 0 C--N 1.373 1.866 0 C-N-CA 122.646 2.231 . . . . 0.0 112.675 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -70.72 139.06 51.05 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.341 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.423 HD22 HH12 ' A' ' 37' ' ' ARG . 28.9 tp -74.26 -44.1 54.27 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.979 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.442 ' HB3' HD22 ' A' ' 53' ' ' LEU . . . -144.53 174.56 10.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.525 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.435 ' HB3' ' HD2' ' A' ' 10' ' ' ARG . 23.4 t70 -109.6 -45.92 3.6 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.391 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.435 ' HD2' ' HB3' ' A' ' 9' ' ' ASP . 2.4 mpt_? -123.2 155.55 36.88 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 121.525 0.679 . . . . 0.0 111.708 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.544 ' HB3' HD23 ' A' ' 53' ' ' LEU . 44.3 pttt -131.86 169.34 16.39 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 114.52 -1.218 . . . . 0.0 109.931 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 mp -126.83 116.15 20.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.754 0.311 . . . . 0.0 110.922 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.58 ' HA ' HD11 ' A' ' 22' ' ' ILE . 37.5 m -114.56 179.09 4.05 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.388 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.442 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -80.76 -41.08 24.05 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.531 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -124.81 171.06 10.44 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.155 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -70.66 -16.34 62.8 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 120.938 0.399 . . . . 0.0 110.437 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -88.27 -19.09 27.25 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.258 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.1 t 56.06 31.57 18.36 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 124.068 0.855 . . . . 0.0 109.818 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.0 t -96.93 -7.68 32.61 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 114.593 -1.185 . . . . 0.0 111.125 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -98.01 146.46 31.53 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.739 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.432 ' HB2' HD12 ' A' ' 91' ' ' LEU . 36.2 Cg_endo -90.21 119.93 0.8 Allowed 'Trans proline' 0 C--N 1.366 1.481 0 C-N-CA 122.846 2.364 . . . . 0.0 111.859 178.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.58 HD11 ' HA ' ' A' ' 13' ' ' CYS . 50.4 mt -68.75 -66.07 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.817 -179.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.4 p -135.49 138.32 43.01 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -89.81 111.07 21.97 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.122 -0.945 . . . . 0.0 108.628 178.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.36 145.13 42.2 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.271 -0.422 . . . . 0.0 112.045 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.9 t -95.56 141.96 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.627 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.85 131.42 34.52 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.844 0.354 . . . . 0.0 111.297 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -92.16 -6.48 50.63 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.412 ' HA ' ' HB2' ' A' ' 43' ' ' ARG . 2.7 pt20 -166.29 -175.8 3.41 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -89.01 148.65 23.64 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.665 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -151.7 135.87 16.67 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.108 179.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.547 ' HA ' HG23 ' A' ' 40' ' ' THR . 15.5 tpt -112.46 139.44 48.03 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.97 107.56 23.72 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -77.22 -44.0 0.21 Allowed 'Trans proline' 0 C--N 1.363 1.338 0 C-N-CA 122.489 2.126 . . . . 0.0 112.404 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.19 158.05 16.84 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.596 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.5 p -59.27 -38.72 80.82 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.423 HH12 HD22 ' A' ' 7' ' ' LEU . 7.8 ppt_? -91.73 16.15 11.32 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -178.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -99.71 168.26 10.03 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 177.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.53 HD21 HG23 ' A' ' 65' ' ' VAL . 43.5 tp -124.27 133.66 53.43 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.547 HG23 ' HA ' ' A' ' 32' ' ' MET . 27.8 m -89.99 118.65 29.71 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.502 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.5 mt -122.25 152.98 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -118.72 156.77 28.73 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.934 0.397 . . . . 0.0 111.047 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.412 ' HB2' ' HA ' ' A' ' 29' ' ' GLN . 20.8 tpt180 -63.59 119.63 10.2 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.449 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.55 1.55 62.09 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 115.765 -0.652 . . . . 0.0 114.203 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -85.75 157.3 20.3 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 117.578 0.689 . . . . 0.0 111.94 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 13.9 t -93.32 126.32 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.671 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.462 HG22 HG22 ' A' ' 65' ' ' VAL . 18.1 t -125.25 123.64 65.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 120.836 0.35 . . . . 0.0 111.362 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -92.64 120.85 33.48 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.887 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.1 t -87.12 124.44 40.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.121 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -103.52 -31.15 10.09 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.813 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.455 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 73.2 p -144.45 149.72 36.48 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -124.9 114.43 19.17 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.333 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.544 HD23 ' HB3' ' A' ' 11' ' ' LYS . 27.5 mt -72.98 150.33 42.56 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.898 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -131.83 -42.25 1.02 Allowed 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.47 100.82 0.33 Allowed Glycine 0 C--N 1.336 0.572 0 O-C-N 123.428 0.455 . . . . 0.0 113.025 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 75.5 mtt85 58.84 19.09 6.65 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.579 0.751 . . . . 0.0 112.435 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.31 49.94 0.35 Allowed Glycine 0 C--N 1.336 0.565 0 C-N-CA 121.496 -0.383 . . . . 0.0 112.193 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.418 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 38.2 ptt180 -68.8 -20.86 64.34 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 64.0 mt -92.6 12.32 23.52 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.843 0.354 . . . . 0.0 110.658 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -121.83 125.73 47.15 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.063 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 47.5 m0 -113.98 -175.96 2.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.622 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -159.97 150.51 20.78 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.623 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 175.16 -150.1 10.8 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 121.435 -0.412 . . . . 0.0 112.431 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.8 t -140.59 145.85 37.24 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.586 0.231 . . . . 0.0 110.794 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.53 HG23 HD21 ' A' ' 39' ' ' LEU . 97.0 t -85.05 127.22 40.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.067 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -74.12 -78.02 0.1 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 32.84 79.27 0.02 OUTLIER Glycine 0 C--N 1.353 1.517 0 O-C-N 124.185 0.928 . . . . 0.0 113.98 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 67.88 94.11 0.07 Allowed 'General case' 0 N--CA 1.473 0.681 0 O-C-N 124.144 0.555 . . . . 0.0 110.227 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -82.07 93.15 6.94 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.432 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -109.92 -11.22 14.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.693 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.18 46.59 4.08 Favored Glycine 0 C--N 1.335 0.526 0 CA-C-N 116.038 -0.528 . . . . 0.0 113.072 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -148.12 10.66 0.9 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.591 0.234 . . . . 0.0 111.559 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.2 -19.91 1.1 Allowed 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -179.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.17 36.87 2.0 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.241 0.543 . . . . 0.0 110.701 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.86 -14.13 23.44 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.486 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.46 163.6 32.4 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.4 mt -119.15 128.15 54.0 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.936 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -124.04 171.14 16.3 Favored Glycine 0 C--N 1.335 0.485 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.098 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -106.53 155.23 19.82 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.915 0.388 . . . . 0.0 111.264 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -153.44 154.59 30.76 Favored Pre-proline 0 CA--C 1.541 0.631 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.642 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.444 ' O ' HG12 ' A' ' 84' ' ' ILE . 7.6 Cg_exo -73.16 135.0 22.08 Favored 'Trans proline' 0 C--N 1.369 1.606 0 C-N-CA 122.145 1.897 . . . . 0.0 111.75 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 98.7 p -64.95 -22.78 67.06 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.418 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.7 t -66.23 -21.09 66.29 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 81' ' ' PRO . 20.2 pt -92.63 -6.26 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 120.461 -0.496 . . . . 0.0 112.337 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.403 HG13 HG13 ' A' ' 84' ' ' ILE . 22.7 m -119.7 167.85 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-O 120.979 0.418 . . . . 0.0 112.027 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -140.74 116.95 10.61 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.347 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -71.51 131.46 43.32 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.406 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -121.01 -39.08 2.74 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.681 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -144.79 143.31 30.59 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 57.8 m -103.04 121.61 42.93 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.432 HD12 ' HB2' ' A' ' 21' ' ' PRO . 12.0 mt -86.42 -32.51 20.85 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.286 -178.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 tpmt? -153.42 131.6 6.43 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.127 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -59.55 124.62 15.86 Favored 'Trans proline' 0 C--N 1.368 1.554 0 C-N-CA 122.932 2.422 . . . . 0.0 113.867 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -98.58 91.65 1.14 Allowed Glycine 0 C--N 1.335 0.498 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 178.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -129.24 25.29 5.5 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.7 t -118.15 121.76 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -93.01 105.22 17.35 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.128 0.49 . . . . 0.0 111.605 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.534 HG12 ' H ' ' A' ' 99' ' ' LYS . 1.7 t -105.48 178.82 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.534 ' H ' HG12 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -132.94 165.97 23.45 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 118.107 0.412 . . . . 0.0 110.773 -179.863 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.5 p -93.75 169.6 10.19 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.615 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -123.86 -174.97 3.11 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.174 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -68.86 -37.77 79.31 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.83 0.452 . . . . 0.0 112.214 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 55.3 m95 -88.71 48.01 1.58 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.089 0.471 . . . . 0.0 111.963 -178.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -127.0 -19.2 4.46 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.918 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -123.51 -16.19 6.87 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -89.67 113.13 24.57 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.307 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 41.6 m -119.69 32.68 5.95 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.357 -0.83 . . . . 0.0 110.658 -179.905 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ptt? . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.751 0.31 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.03 177.13 14.79 Favored Glycine 0 CA--C 1.523 0.547 0 CA-C-O 119.368 -0.685 . . . . 0.0 112.538 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -66.14 149.62 85.54 Favored 'Trans proline' 0 C--N 1.364 1.344 0 C-N-CA 122.459 2.106 . . . . 0.0 112.182 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.548 ' HE1' ' HG2' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -156.12 166.01 17.34 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.502 -178.678 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -50.87 158.74 2.83 Favored 'Trans proline' 0 C--N 1.38 2.214 0 C-N-CA 122.403 2.068 . . . . 0.0 112.696 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -29.55 70.62 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.9 tp 75.44 -34.39 0.25 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.975 0.91 . . . . 0.0 111.829 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -156.85 -166.71 2.17 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 122.938 0.495 . . . . 0.0 110.193 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -129.68 -53.52 1.15 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.53 0.205 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.493 ' HG2' ' HG2' ' A' ' 99' ' ' LYS . 40.0 mtp85 -124.46 163.39 21.93 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.142 -179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.469 ' HD3' HG22 ' A' ' 100' ' ' THR . 34.2 pttt -132.92 167.31 20.47 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.197 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -111.39 119.29 38.33 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.321 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.568 ' HA ' HD11 ' A' ' 22' ' ' ILE . 79.6 m -121.92 171.42 8.93 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.838 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.541 ' HB1' ' HG2' ' A' ' 92' ' ' LYS . . . -87.44 -33.16 19.15 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.15 178.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.06 171.16 14.36 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.393 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -68.24 -18.15 64.49 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.145 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.5 mp0 -89.32 -15.92 32.29 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.728 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 90.4 m 57.06 28.08 14.34 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.459 0.647 . . . . 0.0 110.178 -178.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.4 t -96.75 -8.09 32.18 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.355 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -98.82 148.7 34.92 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.748 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.472 ' HB2' HD12 ' A' ' 91' ' ' LEU . 38.4 Cg_endo -91.65 118.76 0.52 Allowed 'Trans proline' 0 C--N 1.367 1.534 0 C-N-CA 122.92 2.414 . . . . 0.0 111.588 178.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.568 HD11 ' HA ' ' A' ' 13' ' ' CYS . 5.3 mp -67.7 -64.88 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.136 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.292 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 p -133.03 144.11 49.84 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.6 ttp -98.58 122.93 42.4 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 114.788 -1.096 . . . . 0.0 109.167 179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.482 ' HB2' ' CD ' ' A' ' 87' ' ' GLU . . . -120.44 158.72 26.61 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.5 t -109.26 135.47 48.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.719 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.0 139.17 38.26 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.907 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' A' ' 86' ' ' ARG . 3.7 mm? -100.35 -22.36 15.1 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.316 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -150.2 178.81 8.64 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -83.25 153.28 24.77 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.304 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -151.37 108.75 3.6 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.433 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -92.72 119.5 32.16 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.446 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . . . -73.4 116.86 55.39 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.055 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 2.8 Cg_exo -76.44 -61.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.363 1.293 0 C-N-CA 122.419 2.079 . . . . 0.0 111.846 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -91.44 165.1 13.56 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.245 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 29.5 t -57.82 -36.15 71.84 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 114.888 -1.051 . . . . 0.0 113.353 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.548 ' HG2' ' HE1' ' A' ' 4' ' ' MET . 0.2 OUTLIER -67.87 -18.45 64.81 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -178.042 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -94.2 163.85 13.28 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 117.888 0.313 . . . . 0.0 111.472 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.6 142.51 50.04 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.793 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 35.8 m -89.94 126.2 35.65 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.995 0.426 . . . . 0.0 110.802 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.0 mt -125.36 143.32 39.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.614 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -104.27 161.91 13.65 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.108 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -66.17 115.95 6.72 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.794 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.55 9.85 59.74 Favored Glycine 0 C--N 1.337 0.588 0 C-N-CA 121.034 -0.603 . . . . 0.0 113.575 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -82.29 143.21 31.47 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 117.153 0.476 . . . . 0.0 111.44 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 t -82.88 123.38 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.445 HG22 HG23 ' A' ' 65' ' ' VAL . 9.2 t -123.95 123.03 65.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 120.772 0.32 . . . . 0.0 111.429 -179.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -91.22 125.57 36.03 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.983 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.4 t -90.57 123.69 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.529 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -105.82 -20.5 13.42 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.879 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.426 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 72.6 p -158.08 138.93 13.06 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -116.3 111.11 19.64 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.627 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.438 HD23 ' HB3' ' A' ' 11' ' ' LYS . 36.7 mt -73.35 145.35 46.01 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 58' ' ' ARG . 55.9 mtmt -133.27 174.51 10.31 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.517 179.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.18 -104.39 3.17 Favored Glycine 0 C--N 1.337 0.589 0 C-N-CA 121.201 -0.523 . . . . 0.0 113.013 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.3 mmm-85 -75.55 -19.74 59.12 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 122.291 0.237 . . . . 0.0 111.234 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -145.54 68.84 0.4 Allowed Glycine 0 C--N 1.334 0.426 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.033 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.478 ' HA ' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -73.01 -5.49 39.16 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.798 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.0 mp -100.62 -6.74 24.8 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.604 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -97.15 128.44 44.06 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.382 0.61 . . . . 0.0 111.782 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 34.3 m0 -115.36 -179.27 3.59 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.162 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.26 156.59 28.05 Favored Glycine 0 C--N 1.333 0.414 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.693 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.62 -145.15 10.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.481 -0.39 . . . . 0.0 112.382 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.4 t -132.37 152.35 51.48 Favored 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.445 HG23 HG22 ' A' ' 47' ' ' VAL . 7.2 p -105.19 128.32 59.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 121.333 0.587 . . . . 0.0 111.616 -179.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -99.61 148.02 24.76 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.225 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 161.66 -50.19 0.34 Allowed Glycine 0 C--N 1.334 0.428 0 C-N-CA 121.242 -0.504 . . . . 0.0 112.125 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -125.06 128.79 49.06 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -135.26 90.9 2.67 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.026 0.441 . . . . 0.0 110.554 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -120.83 -14.6 8.49 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.955 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -160.75 -113.02 0.3 Allowed Glycine 0 C--N 1.333 0.388 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.476 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -121.69 114.23 20.84 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.659 0.266 . . . . 0.0 110.785 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.17 -24.65 0.25 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.183 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.6 -3.49 46.28 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.346 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.46 -38.3 71.3 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.687 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -89.43 151.38 22.05 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.385 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.0 mt -116.01 134.39 55.01 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.422 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -122.71 178.54 16.35 Favored Glycine 0 C--N 1.334 0.431 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.993 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.433 ' HD2' ' HD3' ' A' ' 37' ' ' ARG . 31.9 m-85 -119.18 147.57 44.06 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.778 0.323 . . . . 0.0 110.949 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -147.13 152.64 43.71 Favored Pre-proline 0 CA--C 1.54 0.579 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.975 -178.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -77.19 137.24 16.88 Favored 'Trans proline' 0 C--N 1.366 1.469 0 C-N-CA 122.457 2.105 . . . . 0.0 112.002 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 95.8 p -65.12 -19.69 66.11 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.535 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.3 t -66.24 -22.31 66.32 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.2 pt -95.52 -0.83 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.2 m -121.93 155.81 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.468 ' HB2' HD21 ' A' ' 28' ' ' LEU . 25.1 ttt85 -126.53 117.94 23.88 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.793 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.482 ' CD ' ' HB2' ' A' ' 25' ' ' ALA . 55.6 mm-40 -88.29 129.02 35.49 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.227 -179.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -138.35 -23.77 0.98 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.57 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -123.68 140.44 52.99 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.747 -178.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.0 m -122.17 114.53 20.99 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.472 HD12 ' HB2' ' A' ' 21' ' ' PRO . 10.9 mt -86.51 -13.82 44.87 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -176.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.541 ' HG2' ' HB1' ' A' ' 14' ' ' ALA . 1.9 tpmt? -172.55 135.01 0.77 Allowed Pre-proline 0 N--CA 1.477 0.877 0 O-C-N 123.346 0.404 . . . . 0.0 110.792 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.418 ' HD2' ' HG3' ' A' ' 92' ' ' LYS . 72.0 Cg_exo -56.83 127.88 27.65 Favored 'Trans proline' 0 C--N 1.368 1.586 0 C-N-CA 123.105 2.536 . . . . 0.0 113.441 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -101.72 77.79 0.37 Allowed Glycine 0 C--N 1.333 0.415 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.93 27.27 7.77 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -178.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.6 t -126.35 102.79 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -84.36 128.53 34.63 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.647 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 25.5 t -127.75 145.98 34.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.256 179.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.493 ' HG2' ' HG2' ' A' ' 10' ' ' ARG . 55.6 mtpt -80.63 161.11 24.84 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.47 0.176 . . . . 0.0 110.999 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.469 HG22 ' HD3' ' A' ' 11' ' ' LYS . 44.0 p -101.39 141.83 33.68 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -95.9 -179.6 4.76 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.334 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -18.61 58.59 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -81.46 -4.05 54.77 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -81.46 -26.54 35.2 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.18 58.03 1.64 Allowed 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.213 0.53 . . . . 0.0 111.935 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -151.16 104.65 3.14 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.215 179.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 98.5 m -105.96 150.14 25.96 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.568 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.255 -0.878 . . . . 0.0 111.166 -179.848 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.715 0.293 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 142.12 168.88 11.87 Favored Glycine 0 C--N 1.333 0.389 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.409 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -90.21 60.52 1.72 Allowed 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 123.109 2.539 . . . . 0.0 112.961 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.612 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -81.94 172.9 8.55 Favored Pre-proline 0 CA--C 1.562 1.431 0 CA-C-O 118.803 -0.618 . . . . 0.0 109.545 179.349 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.612 ' HD2' ' HB2' ' A' ' 4' ' ' MET . 17.7 Cg_endo -59.74 157.29 33.44 Favored 'Trans proline' 0 C--N 1.377 2.034 0 C-N-CA 122.889 2.393 . . . . 0.0 115.181 -177.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -90.31 -179.88 5.73 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.842 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.5 HD21 ' NH1' ' A' ' 37' ' ' ARG . 2.7 mm? -109.73 -45.74 3.61 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.007 179.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -135.92 -171.44 2.86 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.2 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 42.1 p-10 -124.36 -26.19 3.97 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.489 ' HE ' ' HE2' ' A' ' 99' ' ' LYS . 74.5 mtt85 -135.71 156.89 48.12 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.962 0.411 . . . . 0.0 111.191 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.449 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 38.0 pttt -137.41 177.39 7.9 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.61 -178.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' A' ' 51' ' ' SER . 3.9 mm? -118.7 113.25 20.88 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.36 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 85.1 m -117.17 176.23 5.23 Favored 'General case' 0 C--O 1.232 0.18 0 O-C-N 123.614 0.571 . . . . 0.0 110.265 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.442 ' HA ' ' HA2' ' A' ' 94' ' ' GLY . . . -83.43 -23.15 32.42 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.286 178.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -150.31 172.24 15.69 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.333 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -66.12 -17.87 64.99 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -91.8 -15.46 28.23 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.9 m 56.63 28.68 14.41 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.461 0.648 . . . . 0.0 110.127 -178.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.2 t -94.77 -7.96 38.92 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.411 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -100.76 148.05 34.49 Favored Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.443 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -93.5 130.19 0.74 Allowed 'Trans proline' 0 C--N 1.365 1.401 0 C-N-CA 122.852 2.368 . . . . 0.0 112.351 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.3 mt -74.49 -62.56 1.27 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.163 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.144 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.9 t -139.97 146.03 38.62 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.053 0.454 . . . . 0.0 111.957 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -93.64 126.12 38.64 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -127.34 150.68 49.49 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -178.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.8 t -102.52 135.28 40.44 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.153 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.99 130.31 37.31 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 86' ' ' ARG . 2.9 mm? -90.44 -27.26 19.39 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -147.87 176.96 9.72 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -79.01 150.97 31.79 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.341 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -151.43 136.05 17.08 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.415 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 97.0 mmm -115.39 137.13 52.37 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.235 0.334 . . . . 0.0 110.68 179.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.439 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . . . -94.51 118.54 66.93 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.342 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 4.7 Cg_exo -75.15 -67.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.363 1.325 0 C-N-CA 122.494 2.13 . . . . 0.0 111.489 179.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.0 170.5 9.61 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.66 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.9 t -64.73 -9.94 23.81 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -178.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.5 ' NH1' HD21 ' A' ' 7' ' ' LEU . 28.4 mtm105 -80.05 -25.91 39.94 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -95.93 164.49 12.7 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.937 0.399 . . . . 0.0 111.931 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.1 tp -120.34 138.72 53.57 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.741 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 41.3 m -88.29 121.82 31.12 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.9 mt -127.04 127.12 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.986 -178.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.438 ' H ' ' CD ' ' A' ' 45' ' ' GLN . 79.7 m-70 -88.96 159.26 17.73 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 177.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -63.14 117.14 6.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.694 -178.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.37 3.41 53.64 Favored Glycine 0 C--N 1.342 0.878 0 C-N-CA 120.965 -0.636 . . . . 0.0 114.312 179.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.474 ' NE2' HG21 ' A' ' 65' ' ' VAL . 25.8 mt-30 -76.34 145.28 39.61 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 117.842 0.821 . . . . 0.0 111.783 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.8 t -88.23 103.08 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.8 t -110.28 126.94 67.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.852 0.358 . . . . 0.0 111.546 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -96.39 127.89 42.81 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.401 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.7 t -87.42 136.56 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.247 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -118.15 -31.17 5.1 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 112.126 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.449 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 37.4 p -148.32 147.68 29.57 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.323 0.861 . . . . 0.0 113.323 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -121.95 121.47 37.16 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.24 -0.891 . . . . 0.0 108.844 178.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.7 mt -66.18 150.29 48.99 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -89.01 -97.26 0.09 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.768 -179.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.57 154.5 45.69 Favored Glycine 0 C--N 1.344 0.985 0 C-N-CA 121.232 -0.508 . . . . 0.0 112.689 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? 74.9 -58.26 0.58 Allowed 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.565 1.146 . . . . 0.0 111.714 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.0 -55.55 7.9 Favored Glycine 0 C--N 1.338 0.643 0 CA-C-O 119.755 -0.47 . . . . 0.0 112.607 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 58.57 -77.37 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.277 1.031 . . . . 0.0 112.257 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.1 pp -86.57 -0.26 55.78 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.286 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -88.34 115.31 25.76 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.168 0.509 . . . . 0.0 110.631 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 42.2 m0 -107.79 -171.32 1.85 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.126 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -169.55 165.09 38.55 Favored Glycine 0 C--N 1.336 0.529 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.776 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 164.65 -144.89 9.75 Favored Glycine 0 C--N 1.337 0.617 0 N-CA-C 112.136 -0.386 . . . . 0.0 112.136 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 94.1 p -134.9 155.18 51.15 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.474 HG21 ' NE2' ' A' ' 45' ' ' GLN . 6.9 p -107.47 132.9 53.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-O 121.339 0.59 . . . . 0.0 111.977 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -105.45 136.32 45.23 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.136 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 157.38 -31.13 0.53 Allowed Glycine 0 C--N 1.334 0.448 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.445 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.7 124.77 14.43 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.961 0.41 . . . . 0.0 111.229 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -125.49 102.75 7.53 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.727 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -110.79 -5.3 14.98 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.872 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 153.1 -86.89 0.13 Allowed Glycine 0 C--N 1.334 0.434 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.035 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -105.69 91.14 3.63 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.964 0.411 . . . . 0.0 110.36 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -134.08 -57.03 0.87 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.242 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.33 -7.98 55.85 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.412 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.32 -35.55 76.07 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.684 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -95.07 151.92 18.78 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.459 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 69.6 mt -115.35 125.1 52.8 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.214 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -112.01 -173.8 19.44 Favored Glycine 0 C--N 1.333 0.399 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.747 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -129.54 148.22 51.42 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.807 0.337 . . . . 0.0 110.72 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -151.05 154.86 34.64 Favored Pre-proline 0 CA--C 1.541 0.596 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.041 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -74.33 137.05 22.8 Favored 'Trans proline' 0 C--N 1.368 1.56 0 C-N-CA 122.315 2.01 . . . . 0.0 111.554 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.1 p -63.92 -20.85 66.16 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.414 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.2 p -65.9 -25.11 67.01 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.0 pt -92.69 -1.34 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.0 m -123.86 145.63 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 121.024 0.44 . . . . 0.0 112.051 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.67 ' HB2' HD21 ' A' ' 28' ' ' LEU . 78.7 ttt180 -117.18 108.16 15.33 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.964 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -80.92 103.23 10.61 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.456 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -94.22 -28.39 15.65 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.307 -178.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.635 HE22 HD23 ' A' ' 91' ' ' LEU . 1.1 tm0? -144.8 129.8 18.42 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.5 m -90.77 124.62 35.27 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.635 HD23 HE22 ' A' ' 89' ' ' GLN . 8.6 mt -85.68 -38.94 17.78 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.875 -177.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -155.43 135.07 8.04 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -53.48 132.82 50.62 Favored 'Trans proline' 0 C--N 1.371 1.72 0 C-N-CA 123.38 2.72 . . . . 0.0 114.508 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' A' ' 14' ' ' ALA . . . -112.78 76.72 0.23 Allowed Glycine 0 C--N 1.335 0.496 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 178.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -122.41 31.26 6.19 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.9 t -119.94 117.34 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.473 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -79.87 119.02 22.17 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.965 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.6 t -121.45 129.41 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.489 ' HE2' ' HE ' ' A' ' 10' ' ' ARG . 94.1 mttt -79.17 159.95 27.18 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.187 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 62.5 p -98.57 156.18 16.92 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.627 0.251 . . . . 0.0 110.795 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -111.52 -172.31 2.01 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.016 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.26 -42.35 65.71 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.466 -179.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -86.75 47.58 1.51 Allowed 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.702 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.28 -31.45 3.05 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -114.32 -0.32 13.88 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.272 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -89.51 117.97 28.81 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.271 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 48.8 t -121.62 143.4 49.34 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.989 -179.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.731 179.553 . . . . . . . . 0 0 . 1 stop_ save_